2-(butanoylamino)-N-cyclopropylbenzamide

C14H18N2O2 — CID 31824279

IUPAC2-(butanoylamino)-N-cyclopropylbenzamide
SMILESCCCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H18N2O2/c1-2-5-13(17)16-12-7-4-3-6-11(12)14(18)15-10-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyQRSDAHQIVQIMHQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds5

About 2-(butanoylamino)-N-cyclopropylbenzamide

2-(butanoylamino)-N-cyclopropylbenzamide (PubChem CID 31824279) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(butanoylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-(butanoylamino)-N-cyclopropylbenzamide
PubChem CID31824279
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(butanoylamino)-N-cyclopropylbenzamide
SMILESCCCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H18N2O2/c1-2-5-13(17)16-12-7-4-3-6-11(12)14(18)15-10-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyQRSDAHQIVQIMHQ-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-N-cyclopropylbenzamide?
The IUPAC name of 2-(butanoylamino)-N-cyclopropylbenzamide (CID 31824279) is 2-(butanoylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 2-(butanoylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 2-(butanoylamino)-N-cyclopropylbenzamide is CCCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-(butanoylamino)-N-cyclopropylbenzamide?
The InChIKey is QRSDAHQIVQIMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-5-13(17)16-12-7-4-3-6-11(12)14(18)15-10-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(butanoylamino)-N-cyclopropylbenzamide?
2-(butanoylamino)-N-cyclopropylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 31824279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).