N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide

C19H24N2O2 — CID 109019582

IUPACN-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-11-10-19(22)21-14-17-8-3-4-9-18(17)23-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyOICSATULKRCFBG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.80
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide

N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019582) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019582
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNCc1cccc(C)c1
InChIInChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-11-10-19(22)21-14-17-8-3-4-9-18(17)23-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyOICSATULKRCFBG-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.80
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

3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide (CID 109019582) is N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide is COc1ccccc1CNC(=O)CCNCc1cccc(C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is OICSATULKRCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-11-10-19(22)21-14-17-8-3-4-9-18(17)23-2/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 312.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).