3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide

C18H27N3O2 — CID 119269068

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-3-21(4-2)16(22)14-9-8-10-15(13-14)20-17(23)18(19)11-6-5-7-12-18/h8-10,13H,3-7,11-12,19H2,1-2H3,(H,20,23)
InChIKeyPOUIVJIEBWZPNH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.77
Rot. Bonds5

About 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide

3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide (PubChem CID 119269068) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
PubChem CID119269068
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-3-21(4-2)16(22)14-9-8-10-15(13-14)20-17(23)18(19)11-6-5-7-12-18/h8-10,13H,3-7,11-12,19H2,1-2H3,(H,20,23)
InChIKeyPOUIVJIEBWZPNH-UHFFFAOYSA-N
XLogP2.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide (CID 119269068) is 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide?
The InChIKey is POUIVJIEBWZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-21(4-2)16(22)14-9-8-10-15(13-14)20-17(23)18(19)11-6-5-7-12-18/h8-10,13H,3-7,11-12,19H2,1-2H3,(H,20,23).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide?
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 119269068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).