2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride

C18H23ClN2O3 — CID 119720016

IUPAC2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)CNc2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13(14-9-10-16(22-2)17(11-14)23-3)20-18(21)12-19-15-7-5-4-6-8-15;/h4-11,13,19H,12H2,1-3H3,(H,20,21);1H
InChIKeyQLNLPAVIPHPBPR-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.41
Rot. Bonds7

About 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride

2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119720016) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119720016
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)CNc2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13(14-9-10-16(22-2)17(11-14)23-3)20-18(21)12-19-15-7-5-4-6-8-15;/h4-11,13,19H,12H2,1-3H3,(H,20,21);1H
InChIKeyQLNLPAVIPHPBPR-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553112
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride (CID 119720016) is 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride is COc1ccc(C(C)NC(=O)CNc2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is QLNLPAVIPHPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-13(14-9-10-16(22-2)17(11-14)23-3)20-18(21)12-19-15-7-5-4-6-8-15;/h4-11,13,19H,12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride?
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119720016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).