N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide

C23H29N3O2 — CID 156607252

IUPACN-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccccc2Cc2ccc(C)cc2)CN1C
InChIInChI=1S/C23H29N3O2/c1-4-24-23(28)21-14-19(15-26(21)3)25-22(27)20-8-6-5-7-18(20)13-17-11-9-16(2)10-12-17/h5-12,19,21H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyZMFTVZMCLQRJIU-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.52
Rot. Bonds6

About N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide

N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide (PubChem CID 156607252) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
PubChem CID156607252
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccccc2Cc2ccc(C)cc2)CN1C
InChIInChI=1S/C23H29N3O2/c1-4-24-23(28)21-14-19(15-26(21)3)25-22(27)20-8-6-5-7-18(20)13-17-11-9-16(2)10-12-17/h5-12,19,21H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyZMFTVZMCLQRJIU-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 154817388
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005
(2S,4S)-4-(3-benzylsulfanylpropanoylamino)-N-ethyl-1-methylpyrrolidine-2-carboxamide
CID 72921123
N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
CID 156607245
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
(2S,4R)-N-(4-benzylphenyl)-1-methyl-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 59895171
(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
CID 72890005
(2S,4S)-1-benzyl-4-[(2,5-dimethylphenyl)methylamino]-N-ethylpyrrolidine-2-carboxamide
CID 45220890
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
2-[(4-methylphenyl)methyl]benzoate
CID 7039635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide (CID 156607252) is N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)c2ccccc2Cc2ccc(C)cc2)CN1C.
What is the InChIKey of N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide?
The InChIKey is ZMFTVZMCLQRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-24-23(28)21-14-19(15-26(21)3)25-22(27)20-8-6-5-7-18(20)13-17-11-9-16(2)10-12-17/h5-12,19,21H,4,13-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide?
N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156607252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).