benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane

C129H213BrN10O29 — CID 158067319

About benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane

benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane (PubChem CID 158067319) has the molecular formula C129H213BrN10O29 and a molecular weight of 2448.07 g/mol. Its IUPAC name is benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane.

Molecular Properties

• Compound Name: benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane
• PubChem CID: 158067319
• Molecular Formula: C129H213BrN10O29
• Molecular Weight: 2448.07 g/mol
• Exact Mass: 2445.47
• IUPAC Name: benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane
• SMILES: C#CCOCCOCCOCCOCCC.C#CCOCCOCCOCCOCCN(CCOCCCC)CCOCCN(C)C(=O)OC(C)(C)C.CCCCOCCCCCOCCN(C)C(=O)OC(C)(C)C.CCCCOCCN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1.NCc1ccccc1.O=C(NCCOCCBr)OCc1ccccc1.O=C(NCCOCCN(CCOCCNC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C31H39N3O6.C27H52N2O8.C23H40N2O4.C17H35NO4.C12H16BrNO3.C12H22O4.C7H9N/c35-30(39-25-28-12-6-2-7-13-28)32-16-20-37-22-18-34(24-27-10-4-1-5-11-27)19-23-38-21-17-33-31(36)40-26-29-14-8-3-9-15-29;1-7-9-15-32-17-11-29(12-18-33-16-10-28(6)26(30)37-27(3,4)5)13-19-34-21-23-36-25-24-35-22-20-31-14-8-2;1-6-7-16-27-18-14-25(20-21-11-9-8-10-12-21)15-19-28-17-13-24(5)22(26)29-23(2,3)4;1-6-7-12-20-13-9-8-10-14-21-15-11-18(5)16(19)22-17(2,3)4;13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11;1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2;8-6-7-4-2-1-3-5-7/h1-15H,16-26H2,(H,32,35)(H,33,36);2H,7,9-25H2,1,3-6H3;8-12H,6-7,13-20H2,1-5H3;6-15H2,1-5H3;1-5H,6-10H2,(H,14,15);1H,4-12H2,2H3;1-5H,6,8H2
• InChIKey: FLJVVAPKCIUAQB-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 396.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 89
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.07
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane?

The IUPAC name of benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane (CID 158067319) is benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane.

What is the SMILES notation for benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane?

The canonical SMILES for benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane is C#CCOCCOCCOCCOCCC.C#CCOCCOCCOCCOCCN(CCOCCCC)CCOCCN(C)C(=O)OC(C)(C)C.CCCCOCCCCCOCCN(C)C(=O)OC(C)(C)C.CCCCOCCN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1.NCc1ccccc1.O=C(NCCOCCBr)OCc1ccccc1.O=C(NCCOCCN(CCOCCNC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1.

What is the InChIKey of benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane?

The InChIKey is FLJVVAPKCIUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O6.C27H52N2O8.C23H40N2O4.C17H35NO4.C12H16BrNO3.C12H22O4.C7H9N/c35-30(39-25-28-12-6-2-7-13-28)32-16-20-37-22-18-34(24-27-10-4-1-5-11-27)19-23-38-21-17-33-31(36)40-26-29-14-8-3-9-15-29;1-7-9-15-32-17-11-29(12-18-33-16-10-28(6)26(30)37-27(3,4)5)13-19-34-21-23-36-25-24-35-22-20-31-14-8-2;1-6-7-16-27-18-14-25(20-21-11-9-8-10-12-21)15-19-28-17-13-24(5)22(26)29-23(2,3)4;1-6-7-12-20-13-9-8-10-14-21-15-11-18(5)16(19)22-17(2,3)4;13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11;1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2;8-6-7-4-2-1-3-5-7/h1-15H,16-26H2,(H,32,35)(H,33,36);2H,7,9-25H2,1,3-6H3;8-12H,6-7,13-20H2,1-5H3;6-15H2,1-5H3;1-5H,6-10H2,(H,14,15);1H,4-12H2,2H3;1-5H,6,8H2.

What are the key properties of benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane?

benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane has a molecular weight of 2448.07 g/mol, XLogP of 19.67, 89 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-[benzyl-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]amino]ethoxy]ethyl]carbamate;benzyl N-[2-(2-bromoethoxy)ethyl]carbamate;tert-butyl N-[2-[2-[benzyl(2-butoxyethyl)amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate;tert-butyl N-[2-(5-butoxypentoxy)ethyl]-N-methylcarbamate;phenylmethanamine;1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propane is sourced from PubChem (CID 158067319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).