N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide

C19H28N2O2 — CID 86866237

IUPACN,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)CC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C19H28N2O2/c1-15(11-12-16-8-5-4-6-9-16)14-18(22)21-13-7-10-17(21)19(23)20(2)3/h4-6,8-9,15,17H,7,10-14H2,1-3H3
InChIKeySHHXMFZEEGRBBN-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.72
Rot. Bonds6

About N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide (PubChem CID 86866237) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
PubChem CID86866237
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)CC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C19H28N2O2/c1-15(11-12-16-8-5-4-6-9-16)14-18(22)21-13-7-10-17(21)19(23)20(2)3/h4-6,8-9,15,17H,7,10-14H2,1-3H3
InChIKeySHHXMFZEEGRBBN-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 94033051
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N,N-dimethyl-1-(1-phenylethylcarbamothioyl)pyrrolidine-2-carboxamide
CID 71893825
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42925962
3-methyl-5-phenylpentanamide
CID 66761020
(2S)-1-[[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 14537401
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119552186

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide (CID 86866237) is N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide is CC(CCc1ccccc1)CC(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The InChIKey is SHHXMFZEEGRBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(11-12-16-8-5-4-6-9-16)14-18(22)21-13-7-10-17(21)19(23)20(2)3/h4-6,8-9,15,17H,7,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).