2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate

C36H58N4O6 — CID 59782292

IUPAC2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCCN(CCCC)CCCC)c(OC)c2)cc1OC
InChIInChI=1S/C36H58N4O6/c1-7-11-19-39(20-12-8-2)23-25-45-35(41)37-31-17-15-29(27-33(31)43-5)30-16-18-32(34(28-30)44-6)38-36(42)46-26-24-40(21-13-9-3)22-14-10-4/h15-18,27-28H,7-14,19-26H2,1-6H3,(H,37,41)(H,38,42)
InChIKeyRRPORYFMNZRMOJ-UHFFFAOYSA-N
MW642.88 g/mol
LogP8.27
Rot. Bonds23

About 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate

2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate (PubChem CID 59782292) has the molecular formula C36H58N4O6 and a molecular weight of 642.88 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate
PubChem CID59782292
Molecular FormulaC36H58N4O6
Molecular Weight642.88 g/mol
Exact Mass642.44
IUPAC Name2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCCN(CCCC)CCCC)c(OC)c2)cc1OC
InChIInChI=1S/C36H58N4O6/c1-7-11-19-39(20-12-8-2)23-25-45-35(41)37-31-17-15-29(27-33(31)43-5)30-16-18-32(34(28-30)44-6)38-36(42)46-26-24-40(21-13-9-3)22-14-10-4/h15-18,27-28H,7-14,19-26H2,1-6H3,(H,37,41)(H,38,42)
InChIKeyRRPORYFMNZRMOJ-UHFFFAOYSA-N
XLogP8.27
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.88
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate 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

1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
butyl N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 150975173
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
2-[ethyl(heptyl)amino]ethyl N-[3-[2-[ethyl(heptyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952832
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
CID 59782278
propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
CID 10247026
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate?
The IUPAC name of 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate (CID 59782292) is 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate.
What is the SMILES notation for 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate?
The canonical SMILES for 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate is CCCCN(CCCC)CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCCN(CCCC)CCCC)c(OC)c2)cc1OC.
What is the InChIKey of 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate?
The InChIKey is RRPORYFMNZRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N4O6/c1-7-11-19-39(20-12-8-2)23-25-45-35(41)37-31-17-15-29(27-33(31)43-5)30-16-18-32(34(28-30)44-6)38-36(42)46-26-24-40(21-13-9-3)22-14-10-4/h15-18,27-28H,7-14,19-26H2,1-6H3,(H,37,41)(H,38,42).
What are the key properties of 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate?
2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate has a molecular weight of 642.88 g/mol, XLogP of 8.27, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl N-[4-[4-[2-(dibutylamino)ethoxycarbonylamino]-3-methoxyphenyl]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 59782292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).