N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide

C20H35N3O2 — CID 119574951

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
SMILESCC(CN)(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1CC1
InChIInChI=1S/C20H35N3O2/c1-20(13-21,16-8-9-16)23-19(25)15-6-10-17(11-7-15)22-18(24)12-14-4-2-3-5-14/h14-17H,2-13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyDYGJIUUSKVHKIB-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.49
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 119574951) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID119574951
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
SMILESCC(CN)(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1CC1
InChIInChI=1S/C20H35N3O2/c1-20(13-21,16-8-9-16)23-19(25)15-6-10-17(11-7-15)22-18(24)12-14-4-2-3-5-14/h14-17H,2-13,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyDYGJIUUSKVHKIB-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-N-cyclopropylacetamide
CID 119929037
1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
N-(1-amino-2-methylpropan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119524077
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
3-amino-N-(1-amino-2-cyclopropylpropan-2-yl)cyclohexane-1-carboxamide
CID 122080572
4-[(2-cyclohexylacetyl)amino]-N-[2-(methylamino)ethyl]cyclohexane-1-carboxamide
CID 119502006
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide (CID 119574951) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide is CC(CN)(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is DYGJIUUSKVHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-20(13-21,16-8-9-16)23-19(25)15-6-10-17(11-7-15)22-18(24)12-14-4-2-3-5-14/h14-17H,2-13,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 119574951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).