2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H29N3O2 — CID 71899235

IUPAC2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCCCCCC1
InChIInChI=1S/C20H29N3O2/c1-16(22-13-5-3-2-4-6-14-22)20(25)21-17-9-11-18(12-10-17)23-15-7-8-19(23)24/h9-12,16H,2-8,13-15H2,1H3,(H,21,25)
InChIKeyLOUIFBKUUVHGJL-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.41
Rot. Bonds4

About 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 71899235) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID71899235
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCCCCCC1
InChIInChI=1S/C20H29N3O2/c1-16(22-13-5-3-2-4-6-14-22)20(25)21-17-9-11-18(12-10-17)23-15-7-8-19(23)24/h9-12,16H,2-8,13-15H2,1H3,(H,21,25)
InChIKeyLOUIFBKUUVHGJL-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120775605
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 126792536
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404586

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 71899235) is 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is LOUIFBKUUVHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(22-13-5-3-2-4-6-14-22)20(25)21-17-9-11-18(12-10-17)23-15-7-8-19(23)24/h9-12,16H,2-8,13-15H2,1H3,(H,21,25).
What are the key properties of 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 343.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 71899235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).