N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide

C18H22N2O2 — CID 109021998

IUPACN-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-12-11-18(21)20-13-15-5-3-4-6-17(15)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyFDZTWSOVFHEPAK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.12
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide

N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide (PubChem CID 109021998) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
PubChem CID109021998
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-12-11-18(21)20-13-15-5-3-4-6-17(15)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyFDZTWSOVFHEPAK-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide (CID 109021998) is N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide is COc1ccccc1CNC(=O)CCNc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The InChIKey is FDZTWSOVFHEPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-9-16(10-8-14)19-12-11-18(21)20-13-15-5-3-4-6-17(15)22-2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.12, 7 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-(4-methylanilino)propanamide is sourced from PubChem (CID 109021998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).