butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine

C42H70N6O8 — CID 143354674

About butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine

butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine (PubChem CID 143354674) has the molecular formula C42H70N6O8 and a molecular weight of 787.06 g/mol. Its IUPAC name is butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine
• PubChem CID: 143354674
• Molecular Formula: C42H70N6O8
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.53
• IUPAC Name: butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine
• SMILES: CCCC.CCCC(NC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NC(CC=O)c1ccccc1.CN(C)C
• InChI: InChI=1S/C35H51N5O8.C4H10.C3H9N/c1-5-13-26(30(43)32(45)36-22-28(42)37-25(19-21-41)23-14-8-6-9-15-23)38-31(44)27-18-12-20-40(27)33(46)29(24-16-10-7-11-17-24)39-34(47)48-35(2,3)4;1-3-4-2;1-4(2)3/h6,8-9,14-15,21,24-27,29H,5,7,10-13,16-20,22H2,1-4H3,(H,36,45)(H,37,42)(H,38,44)(H,39,47);3-4H2,1-2H3;1-3H3
• InChIKey: IDBNIVVOPNSDKN-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 183.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	787.06
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine?

The IUPAC name of butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine (CID 143354674) is butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine.

What is the SMILES notation for butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine?

The canonical SMILES for butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine is CCCC.CCCC(NC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NC(CC=O)c1ccccc1.CN(C)C.

What is the InChIKey of butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine?

The InChIKey is IDBNIVVOPNSDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N5O8.C4H10.C3H9N/c1-5-13-26(30(43)32(45)36-22-28(42)37-25(19-21-41)23-14-8-6-9-15-23)38-31(44)27-18-12-20-40(27)33(46)29(24-16-10-7-11-17-24)39-34(47)48-35(2,3)4;1-3-4-2;1-4(2)3/h6,8-9,14-15,21,24-27,29H,5,7,10-13,16-20,22H2,1-4H3,(H,36,45)(H,37,42)(H,38,44)(H,39,47);3-4H2,1-2H3;1-3H3.

What are the key properties of butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine?

butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine has a molecular weight of 787.06 g/mol, XLogP of 4.85, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for butane;tert-butyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(3-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;N,N-dimethylmethanamine is sourced from PubChem (CID 143354674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).