N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride

C18H23ClN2O3 — CID 120568459

IUPACN-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)Nc2cc(N)ccc2C)cc(OC)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3;/h4,6,8-11H,5,7,19H2,1-3H3,(H,20,21);1H
InChIKeyNCNBKLHRPBCGSV-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.59
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride (PubChem CID 120568459) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
PubChem CID120568459
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)Nc2cc(N)ccc2C)cc(OC)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3;/h4,6,8-11H,5,7,19H2,1-3H3,(H,20,21);1H
InChIKeyNCNBKLHRPBCGSV-UHFFFAOYSA-N
XLogP3.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.59
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

N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120568721
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
3-(3,5-dimethoxyphenyl)-N-(8-methylquinolin-5-yl)propanamide
CID 38267727
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
methyl 3-[3-(5-amino-2-methylanilino)-3-oxopropyl]sulfanylpropanoate
CID 43617765
N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 51132483

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride (CID 120568459) is N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride is COc1cc(CCC(=O)Nc2cc(N)ccc2C)cc(OC)c1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is NCNBKLHRPBCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12-4-6-14(19)10-17(12)20-18(21)7-5-13-8-15(22-2)11-16(9-13)23-3;/h4,6,8-11H,5,7,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).