N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide

C16H23N3O2 — CID 60854322

IUPACN-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
SMILESCC(C)NCCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-9-15(20)19-14-6-4-3-5-13(14)16(21)18-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOHHKOWUDXCKFJX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide

N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide (PubChem CID 60854322) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
PubChem CID60854322
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
SMILESCC(C)NCCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-10-9-15(20)19-14-6-4-3-5-13(14)16(21)18-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyOHHKOWUDXCKFJX-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
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CID 8897970
N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide (CID 60854322) is N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide is CC(C)NCCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide?
The InChIKey is OHHKOWUDXCKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)17-10-9-15(20)19-14-6-4-3-5-13(14)16(21)18-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide?
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide is sourced from PubChem (CID 60854322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).