(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide

C23H24N2O3 — CID 40799845

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-9-14-22(27-3)21(15-16)25-23(26)17(2)24-18-10-12-20(13-11-18)28-19-7-5-4-6-8-19/h4-15,17,24H,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyXOFRMVVRLMKISG-KRWDZBQOSA-N
MW376.46 g/mol
LogP5.24
Rot. Bonds7

About (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide (PubChem CID 40799845) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
PubChem CID40799845
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-9-14-22(27-3)21(15-16)25-23(26)17(2)24-18-10-12-20(13-11-18)28-19-7-5-4-6-8-19/h4-15,17,24H,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyXOFRMVVRLMKISG-KRWDZBQOSA-N
XLogP5.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide (CID 40799845) is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide is COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide?
The InChIKey is XOFRMVVRLMKISG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-9-14-22(27-3)21(15-16)25-23(26)17(2)24-18-10-12-20(13-11-18)28-19-7-5-4-6-8-19/h4-15,17,24H,1-3H3,(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide has a molecular weight of 376.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 40799845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).