(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 8967033

IUPAC(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(C(=O)NC)cc2)CC1=O
InChIInChI=1S/C23H27N3O3/c1-4-17-7-5-6-8-20(17)26-15-19(13-21(26)27)23(29)25(3)14-16-9-11-18(12-10-16)22(28)24-2/h5-12,19H,4,13-15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyNGNYPHVCWJEQRZ-IBGZPJMESA-N
MW393.49 g/mol
LogP2.62
Rot. Bonds6

About (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8967033) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8967033
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(C(=O)NC)cc2)CC1=O
InChIInChI=1S/C23H27N3O3/c1-4-17-7-5-6-8-20(17)26-15-19(13-21(26)27)23(29)25(3)14-16-9-11-18(12-10-16)22(28)24-2/h5-12,19H,4,13-15H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyNGNYPHVCWJEQRZ-IBGZPJMESA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
N-[(2-bromophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55360083
1-(2-bromophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42952625
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55653934
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
(4-methoxycarbonylphenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466502
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
methyl 4-[[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]benzoate
CID 42955864
1-(2-butan-2-ylphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55591779

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 8967033) is (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(C(=O)NC)cc2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGNYPHVCWJEQRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-17-7-5-6-8-20(17)26-15-19(13-21(26)27)23(29)25(3)14-16-9-11-18(12-10-16)22(28)24-2/h5-12,19H,4,13-15H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethylphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8967033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).