2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide

C21H32N3O2+ — CID 8583632

IUPAC2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(C[NH+]1CCCCCCC1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c25-20(16-24-14-8-2-1-3-9-15-24)23-19-13-7-6-12-18(19)21(26)22-17-10-4-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2,(H,22,26)(H,23,25)/p+1
InChIKeyHAYFEXWUQIIRME-UHFFFAOYSA-O
MW358.51 g/mol
LogP2.15
Rot. Bonds5

About 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide

2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 8583632) has the molecular formula C21H32N3O2+ and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
PubChem CID8583632
Molecular FormulaC21H32N3O2+
Molecular Weight358.51 g/mol
Exact Mass358.25
IUPAC Name2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(C[NH+]1CCCCCCC1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H31N3O2/c25-20(16-24-14-8-2-1-3-9-15-24)23-19-13-7-6-12-18(19)21(26)22-17-10-4-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2,(H,22,26)(H,23,25)/p+1
InChIKeyHAYFEXWUQIIRME-UHFFFAOYSA-O
XLogP2.15
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305182
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 11931481
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
N-cyclopropyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 9266837

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide (CID 8583632) is 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide is O=C(C[NH+]1CCCCCCC1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is HAYFEXWUQIIRME-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H31N3O2/c25-20(16-24-14-8-2-1-3-9-15-24)23-19-13-7-6-12-18(19)21(26)22-17-10-4-5-11-17/h6-7,12-13,17H,1-5,8-11,14-16H2,(H,22,26)(H,23,25)/p+1.
What are the key properties of 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 358.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 8583632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).