3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide

C15H21N3O2 — CID 64678413

IUPAC3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-14(20)11-5-4-6-12(9-11)18-13(19)10-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2,(H2,16,20)(H,18,19)
InChIKeyAQVXEKZVVNQTBA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds4

About 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide

3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide (PubChem CID 64678413) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
PubChem CID64678413
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-14(20)11-5-4-6-12(9-11)18-13(19)10-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2,(H2,16,20)(H,18,19)
InChIKeyAQVXEKZVVNQTBA-UHFFFAOYSA-N
XLogP1.78
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
2-(1-aminocyclohexyl)-N-(3-sulfamoylphenyl)acetamide
CID 64683337
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide (CID 64678413) is 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CC2(N)CCCCC2)c1.
What is the InChIKey of 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide?
The InChIKey is AQVXEKZVVNQTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-14(20)11-5-4-6-12(9-11)18-13(19)10-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10,17H2,(H2,16,20)(H,18,19).
What are the key properties of 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide?
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide is sourced from PubChem (CID 64678413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).