3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C19H24N2O2 — CID 109022003

IUPAC3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cc(C)ccc1C
InChIInChI=1S/C19H24N2O2/c1-14-8-9-15(2)17(12-14)20-11-10-19(22)21-13-16-6-4-5-7-18(16)23-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyBUAOYMXYBOZYNR-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds7

About 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109022003) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109022003
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1cc(C)ccc1C
InChIInChI=1S/C19H24N2O2/c1-14-8-9-15(2)17(12-14)20-11-10-19(22)21-13-16-6-4-5-7-18(16)23-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyBUAOYMXYBOZYNR-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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 109022003) is 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCNc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is BUAOYMXYBOZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-8-9-15(2)17(12-14)20-11-10-19(22)21-13-16-6-4-5-7-18(16)23-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]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 3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109022003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).