(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide

C18H27N3O2 — CID 95303248

IUPAC(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1
InChIInChI=1S/C18H27N3O2/c1-14-7-9-15(10-8-14)17(22)19-11-5-13-21-12-4-6-16(21)18(23)20(2)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyNVWSIQQROLTVHR-MRXNPFEDSA-N
MW317.43 g/mol
LogP1.67
Rot. Bonds6

About (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide

(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide (PubChem CID 95303248) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
PubChem CID95303248
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1
InChIInChI=1S/C18H27N3O2/c1-14-7-9-15(10-8-14)17(22)19-11-5-13-21-12-4-6-16(21)18(23)20(2)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyNVWSIQQROLTVHR-MRXNPFEDSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.67
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

(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
N-[3-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 51134153
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
(2R)-1-[3-[(3-cyanobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95298954
(2R)-1-[3-[(3-cyclopropylthiophene-2-carbonyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95339617
(2R)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 52518039
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
(3aS,7aR)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 95933779
1-[3-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111900947
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide (CID 95303248) is (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide is Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1.
What is the InChIKey of (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide?
The InChIKey is NVWSIQQROLTVHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-7-9-15(10-8-14)17(22)19-11-5-13-21-12-4-6-16(21)18(23)20(2)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide?
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95303248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).