N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

C19H24N2O2 — CID 109022472

IUPACN-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-4-5-15(2)18(12-14)21-19(22)10-11-20-13-16-6-8-17(23-3)9-7-16/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyCOPRJCXZWIDISF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022472) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022472
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-4-5-15(2)18(12-14)21-19(22)10-11-20-13-16-6-8-17(23-3)9-7-16/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyCOPRJCXZWIDISF-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113121514
N-(2,5-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845352
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022472) is N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is COPRJCXZWIDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-4-5-15(2)18(12-14)21-19(22)10-11-20-13-16-6-8-17(23-3)9-7-16/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).