N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

C18H23ClN2O4 — CID 119422110

IUPACN-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)Nc2ccccc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyCCTXJLILSBZICT-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.29
Rot. Bonds7

About N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119422110) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119422110
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC NameN-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)Nc2ccccc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyCCTXJLILSBZICT-UHFFFAOYSA-N
XLogP3.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
CID 164618694
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (CID 119422110) is N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is COc1cc(CCC(=O)Nc2ccccc2N)cc(OC)c1OC.Cl.
What is the InChIKey of N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is CCTXJLILSBZICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).