methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate

C30H42N4O3 — CID 23989663

IUPACmethyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate
SMILESCCCCN(C)c1ccc(-c2cccc(CN(C(=O)OC)C3CCC(N)CC3)c2)cc1NC(=O)C1CC1
InChIInChI=1S/C30H42N4O3/c1-4-5-17-33(2)28-16-11-24(19-27(28)32-29(35)22-9-10-22)23-8-6-7-21(18-23)20-34(30(36)37-3)26-14-12-25(31)13-15-26/h6-8,11,16,18-19,22,25-26H,4-5,9-10,12-15,17,20,31H2,1-3H3,(H,32,35)
InChIKeySJYKKVDIPACPNV-UHFFFAOYSA-N
MW506.69 g/mol
LogP5.78
Rot. Bonds10

About methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate

methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate (PubChem CID 23989663) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate
PubChem CID23989663
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC Namemethyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate
SMILESCCCCN(C)c1ccc(-c2cccc(CN(C(=O)OC)C3CCC(N)CC3)c2)cc1NC(=O)C1CC1
InChIInChI=1S/C30H42N4O3/c1-4-5-17-33(2)28-16-11-24(19-27(28)32-29(35)22-9-10-22)23-8-6-7-21(18-23)20-34(30(36)37-3)26-14-12-25(31)13-15-26/h6-8,11,16,18-19,22,25-26H,4-5,9-10,12-15,17,20,31H2,1-3H3,(H,32,35)
InChIKeySJYKKVDIPACPNV-UHFFFAOYSA-N
XLogP5.78
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]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

N-[5-[3-[[(4-aminocyclohexyl)-(2-phenylacetyl)amino]methyl]phenyl]-2-[butyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23828434
methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate
CID 23732827
N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-[3-(dimethylamino)propyl-methylamino]phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 23885100
methyl N-(4-aminocyclohexyl)-N-[[3-[4-(4-benzylpiperidin-1-yl)-3-[(2-methoxyacetyl)amino]phenyl]phenyl]methyl]carbamate
CID 23853434
methyl N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]carbamate
CID 23736689
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 23824913
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833
N-[5-[3-[[[3-(aminomethyl)phenyl]methyl-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-[butyl(methyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 23884113
methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
CID 23826029
5-[butyl(methyl)amino]-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782783
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-4-nitrobenzamide
CID 23739134

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate (CID 23989663) is methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate is CCCCN(C)c1ccc(-c2cccc(CN(C(=O)OC)C3CCC(N)CC3)c2)cc1NC(=O)C1CC1.
What is the InChIKey of methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate?
The InChIKey is SJYKKVDIPACPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O3/c1-4-5-17-33(2)28-16-11-24(19-27(28)32-29(35)22-9-10-22)23-8-6-7-21(18-23)20-34(30(36)37-3)26-14-12-25(31)13-15-26/h6-8,11,16,18-19,22,25-26H,4-5,9-10,12-15,17,20,31H2,1-3H3,(H,32,35).
What are the key properties of methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate?
methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate has a molecular weight of 506.69 g/mol, XLogP of 5.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 23989663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).