methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate

C21H36N2O4 — CID 60622944

IUPACmethyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C21H36N2O4/c1-27-20(25)9-5-6-14-22-21(26)17-10-12-18(13-11-17)23-19(24)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3,(H,22,26)(H,23,24)
InChIKeyYRAYARXIJJWHKI-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.09
Rot. Bonds9

About methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate

methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate (PubChem CID 60622944) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
PubChem CID60622944
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Namemethyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C21H36N2O4/c1-27-20(25)9-5-6-14-22-21(26)17-10-12-18(13-11-17)23-19(24)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3,(H,22,26)(H,23,24)
InChIKeyYRAYARXIJJWHKI-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate 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 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
methyl 4-[2-[(2-cyclopentylacetyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylate
CID 91646964
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate?
The IUPAC name of methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate (CID 60622944) is methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate is COC(=O)CCCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate?
The InChIKey is YRAYARXIJJWHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-27-20(25)9-5-6-14-22-21(26)17-10-12-18(13-11-17)23-19(24)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3,(H,22,26)(H,23,24).
What are the key properties of methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate?
methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate has a molecular weight of 380.53 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate is sourced from PubChem (CID 60622944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).