2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide

C17H20N2O2 — CID 46757337

IUPAC2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-15(11-12)19-17(20)13(2)18-14-7-9-16(21-3)10-8-14/h4-11,13,18H,1-3H3,(H,19,20)
InChIKeyREBYUPPBXZVULA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide

2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide (PubChem CID 46757337) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
PubChem CID46757337
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-15(11-12)19-17(20)13(2)18-14-7-9-16(21-3)10-8-14/h4-11,13,18H,1-3H3,(H,19,20)
InChIKeyREBYUPPBXZVULA-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-2-[[4,6-bis(3,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 41284516

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide (CID 46757337) is 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is REBYUPPBXZVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-4-6-15(11-12)19-17(20)13(2)18-14-7-9-16(21-3)10-8-14/h4-11,13,18H,1-3H3,(H,19,20).
What are the key properties of 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide?
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 46757337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).