3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide

C16H22N4O3 — CID 119284430

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N4O3/c17-13(21)10-19-14(22)11-5-4-6-12(9-11)20-15(23)16(18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2,(H2,17,21)(H,19,22)(H,20,23)
InChIKeySQLLQMQFZUVURO-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.50
Rot. Bonds5

About 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide

3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide (PubChem CID 119284430) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
PubChem CID119284430
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N4O3/c17-13(21)10-19-14(22)11-5-4-6-12(9-11)20-15(23)16(18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2,(H2,17,21)(H,19,22)(H,20,23)
InChIKeySQLLQMQFZUVURO-UHFFFAOYSA-N
XLogP0.50
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-bromoadamantane-1-carboxamide
CID 55679115
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide (CID 119284430) is 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide is NC(=O)CNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide?
The InChIKey is SQLLQMQFZUVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-13(21)10-19-14(22)11-5-4-6-12(9-11)20-15(23)16(18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2,(H2,17,21)(H,19,22)(H,20,23).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide?
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide is sourced from PubChem (CID 119284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).