(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H28N2O3 — CID 40602516

IUPAC(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O
InChIInChI=1S/C23H28N2O3/c1-4-16(2)19-10-6-7-11-20(19)25-15-18(13-22(25)26)23(27)24-14-17-9-5-8-12-21(17)28-3/h5-12,16,18H,4,13-15H2,1-3H3,(H,24,27)/t16-,18+/m0/s1
InChIKeyQPZQAOMSYDCPFR-FUHWJXTLSA-N
MW380.49 g/mol
LogP3.88
Rot. Bonds7

About (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40602516) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40602516
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O
InChIInChI=1S/C23H28N2O3/c1-4-16(2)19-10-6-7-11-20(19)25-15-18(13-22(25)26)23(27)24-14-17-9-5-8-12-21(17)28-3/h5-12,16,18H,4,13-15H2,1-3H3,(H,24,27)/t16-,18+/m0/s1
InChIKeyQPZQAOMSYDCPFR-FUHWJXTLSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3S)-1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124749076
1-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191348
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7927985
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073
1-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
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 (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 40602516) is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O.
What is the InChIKey of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QPZQAOMSYDCPFR-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-16(2)19-10-6-7-11-20(19)25-15-18(13-22(25)26)23(27)24-14-17-9-5-8-12-21(17)28-3/h5-12,16,18H,4,13-15H2,1-3H3,(H,24,27)/t16-,18+/m0/s1.
What are the key properties of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40602516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).