N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

C19H35N3O2 — CID 119608044

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-13(2)19(3,12-20)22-18(24)15-8-10-16(11-9-15)21-17(23)14-6-4-5-7-14/h13-16H,4-12,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVUMNFDYZBULZAM-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.34
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (PubChem CID 119608044) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
PubChem CID119608044
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-13(2)19(3,12-20)22-18(24)15-8-10-16(11-9-15)21-17(23)14-6-4-5-7-14/h13-16H,4-12,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVUMNFDYZBULZAM-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (CID 119608044) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The InChIKey is VUMNFDYZBULZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-13(2)19(3,12-20)22-18(24)15-8-10-16(11-9-15)21-17(23)14-6-4-5-7-14/h13-16H,4-12,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119608044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).