methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate

C31H42N4O4 — CID 23732827

IUPACmethyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1cccc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCC3)c2)c1)C1CCC(N)CC1
InChIInChI=1S/C31H42N4O4/c1-38-31(37)35(27-12-10-26(32)11-13-27)21-22-5-4-8-24(19-22)25-9-14-29(34-15-17-39-18-16-34)28(20-25)33-30(36)23-6-2-3-7-23/h4-5,8-9,14,19-20,23,26-27H,2-3,6-7,10-13,15-18,21,32H2,1H3,(H,33,36)
InChIKeyQOLFFSSIVJZQFZ-UHFFFAOYSA-N
MW534.70 g/mol
LogP5.16
Rot. Bonds7

About methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate

methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate (PubChem CID 23732827) has the molecular formula C31H42N4O4 and a molecular weight of 534.70 g/mol. Its IUPAC name is methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate
PubChem CID23732827
Molecular FormulaC31H42N4O4
Molecular Weight534.70 g/mol
Exact Mass534.32
IUPAC Namemethyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1cccc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCC3)c2)c1)C1CCC(N)CC1
InChIInChI=1S/C31H42N4O4/c1-38-31(37)35(27-12-10-26(32)11-13-27)21-22-5-4-8-24(19-22)25-9-14-29(34-15-17-39-18-16-34)28(20-25)33-30(36)23-6-2-3-7-23/h4-5,8-9,14,19-20,23,26-27H,2-3,6-7,10-13,15-18,21,32H2,1H3,(H,33,36)
InChIKeyQOLFFSSIVJZQFZ-UHFFFAOYSA-N
XLogP5.16
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
CID 23826029
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 23824913
methyl N-(4-aminocyclohexyl)-N-[[3-[4-(4-benzylpiperidin-1-yl)-3-[(2-methoxyacetyl)amino]phenyl]phenyl]methyl]carbamate
CID 23853434
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 23992356
methyl N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]carbamate
CID 23736689
3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 23821900
methyl N-(4-aminocyclohexyl)-N-[[3-[4-[butyl(methyl)amino]-3-(cyclopropanecarbonylamino)phenyl]phenyl]methyl]carbamate
CID 23989663
N-[5-[3-[[(4-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]pyridine-3-carboxamide
CID 23828203
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-4-nitrobenzamide
CID 23739134
3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 23911605
N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(4-methylpiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 23965841
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate (CID 23732827) is methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate is COC(=O)N(Cc1cccc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCC3)c2)c1)C1CCC(N)CC1.
What is the InChIKey of methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate?
The InChIKey is QOLFFSSIVJZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O4/c1-38-31(37)35(27-12-10-26(32)11-13-27)21-22-5-4-8-24(19-22)25-9-14-29(34-15-17-39-18-16-34)28(20-25)33-30(36)23-6-2-3-7-23/h4-5,8-9,14,19-20,23,26-27H,2-3,6-7,10-13,15-18,21,32H2,1H3,(H,33,36).
What are the key properties of methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate?
methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate has a molecular weight of 534.70 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 23732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).