(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C20H22N2O2 — CID 9388957

IUPAC(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21(2)17-7-5-4-6-8-17/h4-12,16H,3,13-14H2,1-2H3/t16-/m1/s1
InChIKeyOLGGXSUJVJLFBN-MRXNPFEDSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds4

About (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 9388957) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID9388957
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21(2)17-7-5-4-6-8-17/h4-12,16H,3,13-14H2,1-2H3/t16-/m1/s1
InChIKeyOLGGXSUJVJLFBN-MRXNPFEDSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55336452
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 9388957) is (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is OLGGXSUJVJLFBN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-15-9-11-18(12-10-15)22-14-16(13-19(22)23)20(24)21(2)17-7-5-4-6-8-17/h4-12,16H,3,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).