(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H22N2O3 — CID 92681474

IUPAC(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-6-18(13-14)25-15(2)20(24)21-16-8-10-17(11-9-16)22-12-4-7-19(22)23/h3,5-6,8-11,13,15H,4,7,12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyULSCUWDPBCEUDJ-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 92681474) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID92681474
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-6-18(13-14)25-15(2)20(24)21-16-8-10-17(11-9-16)22-12-4-7-19(22)23/h3,5-6,8-11,13,15H,4,7,12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyULSCUWDPBCEUDJ-HNNXBMFYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404586
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 100757502
(2S)-2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 28632081
2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559429
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 92681474) is (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is ULSCUWDPBCEUDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-3-6-18(13-14)25-15(2)20(24)21-16-8-10-17(11-9-16)22-12-4-7-19(22)23/h3,5-6,8-11,13,15H,4,7,12H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 92681474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).