2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide

C20H29N3O2 — CID 24588779

IUPAC2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCN1CCCCCCC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H29N3O2/c24-19(12-15-23-13-6-2-1-3-7-14-23)22-18-9-5-4-8-17(18)20(25)21-16-10-11-16/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)(H,22,24)
InChIKeyVTOSTCJYHQHLQA-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.17
Rot. Bonds6

About 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide

2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 24588779) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
PubChem CID24588779
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCN1CCCCCCC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H29N3O2/c24-19(12-15-23-13-6-2-1-3-7-14-23)22-18-9-5-4-8-17(18)20(25)21-16-10-11-16/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)(H,22,24)
InChIKeyVTOSTCJYHQHLQA-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-N-cyclopropylbenzamide
CID 2681212
N-cyclopropyl-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanoylamino]benzamide
CID 24588853
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
2-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoylamino]-N-cyclopentylbenzamide
CID 9467589
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide (CID 24588779) is 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide is O=C(CCN1CCCCCCC1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is VTOSTCJYHQHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(12-15-23-13-6-2-1-3-7-14-23)22-18-9-5-4-8-17(18)20(25)21-16-10-11-16/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)(H,22,24).
What are the key properties of 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide?
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 24588779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).