(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide

C23H24N2O4 — CID 25385741

IUPAC(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O4/c1-16(24-21-14-13-20(27-2)15-22(21)28-3)23(26)25-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-16,24H,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyMSBDGFUTQMCLPT-MRXNPFEDSA-N
MW392.46 g/mol
LogP4.94
Rot. Bonds8

About (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide

(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 25385741) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID25385741
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H24N2O4/c1-16(24-21-14-13-20(27-2)15-22(21)28-3)23(26)25-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-16,24H,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyMSBDGFUTQMCLPT-MRXNPFEDSA-N
XLogP4.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799845
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
CID 118588187
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide (CID 25385741) is (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide is COc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is MSBDGFUTQMCLPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(24-21-14-13-20(27-2)15-22(21)28-3)23(26)25-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-16,24H,1-3H3,(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide?
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 25385741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).