3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide

C17H25N3O2 — CID 119283135

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-11-19-15(21)13-7-6-8-14(12-13)20-16(22)17(18)9-4-3-5-10-17/h6-8,12H,2-5,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKIVHRLYZXDSKDO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.43
Rot. Bonds5

About 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide

3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide (PubChem CID 119283135) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
PubChem CID119283135
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-11-19-15(21)13-7-6-8-14(12-13)20-16(22)17(18)9-4-3-5-10-17/h6-8,12H,2-5,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKIVHRLYZXDSKDO-UHFFFAOYSA-N
XLogP2.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide (CID 119283135) is 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide?
The InChIKey is KIVHRLYZXDSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-11-19-15(21)13-7-6-8-14(12-13)20-16(22)17(18)9-4-3-5-10-17/h6-8,12H,2-5,9-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide?
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide is sourced from PubChem (CID 119283135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).