N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide

C18H22N2O3 — CID 28867446

IUPACN-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)cc2N)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12-4-7-15(14(19)10-12)20-18(21)9-6-13-5-8-16(22-2)17(11-13)23-3/h4-5,7-8,10-11H,6,9,19H2,1-3H3,(H,20,21)
InChIKeyTWXNYOCAJKOAMK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.17
Rot. Bonds6

About N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 28867446) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID28867446
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)cc2N)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12-4-7-15(14(19)10-12)20-18(21)9-6-13-5-8-16(22-2)17(11-13)23-3/h4-5,7-8,10-11H,6,9,19H2,1-3H3,(H,20,21)
InChIKeyTWXNYOCAJKOAMK-UHFFFAOYSA-N
XLogP3.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 28867446) is N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C)cc2N)cc1OC.
What is the InChIKey of N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is TWXNYOCAJKOAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-4-7-15(14(19)10-12)20-18(21)9-6-13-5-8-16(22-2)17(11-13)23-3/h4-5,7-8,10-11H,6,9,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 28867446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).