(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C21H25N3O4 — CID 25354796

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H25N3O4/c1-14(21(26)23-18-13-17(27-2)10-11-19(18)28-3)22-15-6-8-16(9-7-15)24-12-4-5-20(24)25/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyUQYPIEVSSLAVSR-AWEZNQCLSA-N
MW383.45 g/mol
LogP3.27
Rot. Bonds7

About (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 25354796) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID25354796
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H25N3O4/c1-14(21(26)23-18-13-17(27-2)10-11-19(18)28-3)22-15-6-8-16(9-7-15)24-12-4-5-20(24)25/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyUQYPIEVSSLAVSR-AWEZNQCLSA-N
XLogP3.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442450
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 25354796) is (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is UQYPIEVSSLAVSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(21(26)23-18-13-17(27-2)10-11-19(18)28-3)22-15-6-8-16(9-7-15)24-12-4-5-20(24)25/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,23,26)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 25354796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).