tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate

C23H46N6O6 — CID 91559950

IUPACtert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate
SMILESCOCCN(CC(=O)NCCNCC(=O)NCC(C)C)C(=O)CNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46N6O6/c1-18(2)14-27-19(30)15-24-8-9-26-20(31)17-29(12-13-34-7)21(32)16-25-10-11-28(6)22(33)35-23(3,4)5/h18,24-25H,8-17H2,1-7H3,(H,26,31)(H,27,30)
InChIKeyXXOOPWAQHRBHSC-UHFFFAOYSA-N
MW502.66 g/mol
LogP-0.60
Rot. Bonds17

About tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate (PubChem CID 91559950) has the molecular formula C23H46N6O6 and a molecular weight of 502.66 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate
PubChem CID91559950
Molecular FormulaC23H46N6O6
Molecular Weight502.66 g/mol
Exact Mass502.35
IUPAC Nametert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate
SMILESCOCCN(CC(=O)NCCNCC(=O)NCC(C)C)C(=O)CNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46N6O6/c1-18(2)14-27-19(30)15-24-8-9-26-20(31)17-29(12-13-34-7)21(32)16-25-10-11-28(6)22(33)35-23(3,4)5/h18,24-25H,8-17H2,1-7H3,(H,26,31)(H,27,30)
InChIKeyXXOOPWAQHRBHSC-UHFFFAOYSA-N
XLogP-0.60
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[[2-[[2-(1,5,9-triazacyclododec-1-yl)acetyl]amino]acetyl]amino]acetate;hydrochloride
CID 70695833
methyl N-(tert-butoxycarbonyl)glycylglycinate
CID 637608
tert-butyl N-(carbamoylmethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
Ethyl 2-(2-(t-butoxycarbonyl(methyl)amino)ethylamino)acetate
CID 17878855
ethyl N-boc-aminoethylglycinate
CID 54418493
Ethyl (tert-butoxycarbonyl)glycylglycinate
CID 13469365
ethyl N-t-butoxycarbonylglycylglycylglycinate
CID 129780229
Boc-Gly-Val-Gly-Gly-OEt
CID 134825280
Methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-tritioacetyl)amino]acetate
CID 134866164
tert-butyl N-(2-methoxyethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamate
CID 60315948
Methyl 2-[[2-[[2-(1,5,9-triazacyclododec-1-yl)acetyl]amino]acetyl]amino]acetate
CID 70695834
Pyrrol[3-(2-tert-butoxycarbonylamino-acetylamino)-propylcarbamoyl]-methylmorpho-carbamic acid, tert-butyl ester
CID 6420873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate (CID 91559950) is tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate is COCCN(CC(=O)NCCNCC(=O)NCC(C)C)C(=O)CNCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate?
The InChIKey is XXOOPWAQHRBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O6/c1-18(2)14-27-19(30)15-24-8-9-26-20(31)17-29(12-13-34-7)21(32)16-25-10-11-28(6)22(33)35-23(3,4)5/h18,24-25H,8-17H2,1-7H3,(H,26,31)(H,27,30).
What are the key properties of tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate has a molecular weight of 502.66 g/mol, XLogP of -0.60, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[2-methoxyethyl-[2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 91559950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).