2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide

C12H18N2O2 — CID 81081537

IUPAC2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(6-9(8)2)14-12(15)11(13)7-16-3/h4-6,11H,7,13H2,1-3H3,(H,14,15)
InChIKeyWDNHUKRDLOBQDF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide

2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide (PubChem CID 81081537) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
PubChem CID81081537
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(6-9(8)2)14-12(15)11(13)7-16-3/h4-6,11H,7,13H2,1-3H3,(H,14,15)
InChIKeyWDNHUKRDLOBQDF-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
CID 120985632
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
2-amino-N-(1H-indol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120984992

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide (CID 81081537) is 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide?
The InChIKey is WDNHUKRDLOBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-10(6-9(8)2)14-12(15)11(13)7-16-3/h4-6,11H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide?
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81081537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).