N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide

C19H24N2O3 — CID 109019684

IUPACN-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNCc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-14-5-4-6-15(11-14)13-20-10-9-19(22)21-17-8-7-16(23-2)12-18(17)24-3/h4-8,11-12,20H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyJUWUVBAKURVXOP-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019684) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019684
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNCc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-14-5-4-6-15(11-14)13-20-10-9-19(22)21-17-8-7-16(23-2)12-18(17)24-3/h4-8,11-12,20H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyJUWUVBAKURVXOP-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019684) is N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide is COc1ccc(NC(=O)CCNCc2cccc(C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is JUWUVBAKURVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-5-4-6-15(11-14)13-20-10-9-19(22)21-17-8-7-16(23-2)12-18(17)24-3/h4-8,11-12,20H,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).