2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide

C19H27N3O2 — CID 51260492

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(22-12-6-2-1-3-7-13-22)14-20-17-9-5-4-8-16(17)19(24)21-15-10-11-15/h4-5,8-9,15,20H,1-3,6-7,10-14H2,(H,21,24)
InChIKeyGJCYAXHNWFAVEO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.78
Rot. Bonds5

About 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide (PubChem CID 51260492) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
PubChem CID51260492
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(22-12-6-2-1-3-7-13-22)14-20-17-9-5-4-8-16(17)19(24)21-15-10-11-15/h4-5,8-9,15,20H,1-3,6-7,10-14H2,(H,21,24)
InChIKeyGJCYAXHNWFAVEO-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-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

N-cyclopropyl-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 71943998
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide
CID 86911517
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18272466
N-tert-butyl-2-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 47077618
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide (CID 51260492) is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1NCC(=O)N1CCCCCCC1.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
The InChIKey is GJCYAXHNWFAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(22-12-6-2-1-3-7-13-22)14-20-17-9-5-4-8-16(17)19(24)21-15-10-11-15/h4-5,8-9,15,20H,1-3,6-7,10-14H2,(H,21,24).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide?
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 51260492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).