N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C16H23N3O2 — CID 93174646

IUPACN-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H23N3O2/c1-18(2)10-5-9-17-16(21)13-6-3-7-14(12-13)19-11-4-8-15(19)20/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,21)
InChIKeyNMLRLNZOGIUSLD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 93174646) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID93174646
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H23N3O2/c1-18(2)10-5-9-17-16(21)13-6-3-7-14(12-13)19-11-4-8-15(19)20/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,21)
InChIKeyNMLRLNZOGIUSLD-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86928853
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 93174646) is N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(C)CCCNC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NMLRLNZOGIUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)10-5-9-17-16(21)13-6-3-7-14(12-13)19-11-4-8-15(19)20/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 93174646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).