2-(2-aminopropanoylamino)-N-cyclopropylbenzamide

C13H17N3O2 — CID 24693610

IUPAC2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
SMILESCC(N)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-5-3-2-4-10(11)13(18)15-9-6-7-9/h2-5,8-9H,6-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyLVODPCZBIBHDCC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide

2-(2-aminopropanoylamino)-N-cyclopropylbenzamide (PubChem CID 24693610) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
PubChem CID24693610
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
SMILESCC(N)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-5-3-2-4-10(11)13(18)15-9-6-7-9/h2-5,8-9H,6-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyLVODPCZBIBHDCC-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
CID 106111162
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
CID 8023635
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
CID 60868065
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide?
The IUPAC name of 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide (CID 24693610) is 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide is CC(N)C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide?
The InChIKey is LVODPCZBIBHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)12(17)16-11-5-3-2-4-10(11)13(18)15-9-6-7-9/h2-5,8-9H,6-7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide?
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 24693610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).