N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide

C19H29N3O2 — CID 54816415

IUPACN-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-14(2)21-19(24)15-8-7-11-17(12-15)22-18(23)13-20-16-9-5-4-6-10-16/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBJAJCVNHXIKNJE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.08
Rot. Bonds7

About N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide (PubChem CID 54816415) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
PubChem CID54816415
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-14(2)21-19(24)15-8-7-11-17(12-15)22-18(23)13-20-16-9-5-4-6-10-16/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBJAJCVNHXIKNJE-UHFFFAOYSA-N
XLogP3.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
CID 54786138
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816609
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide (CID 54816415) is N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNC2CCCCC2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
The InChIKey is BJAJCVNHXIKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-14(2)21-19(24)15-8-7-11-17(12-15)22-18(23)13-20-16-9-5-4-6-10-16/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide has a molecular weight of 331.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54816415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).