(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

C21H24N2O3 — CID 92723115

IUPAC(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOCCNC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-15-7-9-16(10-8-15)19(13-20(24)22-11-12-26-2)23-14-17-5-3-4-6-18(17)21(23)25/h3-10,19H,11-14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyLAYUNRSEDWLKNE-IBGZPJMESA-N
MW352.43 g/mol
LogP2.84
Rot. Bonds7

About (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 92723115) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID92723115
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOCCNC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H24N2O3/c1-15-7-9-16(10-8-15)19(13-20(24)22-11-12-26-2)23-14-17-5-3-4-6-18(17)21(23)25/h3-10,19H,11-14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyLAYUNRSEDWLKNE-IBGZPJMESA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92723130
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691321
2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid
CID 69217122
(3S)-3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92723099
(3S)-3-(4-fluorophenyl)-N-(3-methylbutyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92722909
(3R)-3-(4-fluorophenyl)-N-(3-methylbutyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92722908
N-(2-ethoxyphenyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46278356
N-(3-chloro-2-methylphenyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46278332
(3R)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(2-phenylethyl)propanamide
CID 92691059
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277908
(3S)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92722931
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277875

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 92723115) is (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is COCCNC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is LAYUNRSEDWLKNE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-9-16(10-8-15)19(13-20(24)22-11-12-26-2)23-14-17-5-3-4-6-18(17)21(23)25/h3-10,19H,11-14H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?
(3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 92723115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).