3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride

C18H23ClN2O2 — CID 119739240

IUPAC3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-20(18(21)15-6-3-7-16(19)13-15)12-4-5-14-8-10-17(22-2)11-9-14;/h3,6-11,13H,4-5,12,19H2,1-2H3;1H
InChIKeyARPPBTNVARTENC-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.40
Rot. Bonds6

About 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride

3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride (PubChem CID 119739240) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
PubChem CID119739240
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-20(18(21)15-6-3-7-16(19)13-15)12-4-5-14-8-10-17(22-2)11-9-14;/h3,6-11,13H,4-5,12,19H2,1-2H3;1H
InChIKeyARPPBTNVARTENC-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
3-amino-N-methyl-N-propylbenzamide
CID 43270761
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 126805410
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
CID 65446769
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride (CID 119739240) is 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride is COc1ccc(CCCN(C)C(=O)c2cccc(N)c2)cc1.Cl.
What is the InChIKey of 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride?
The InChIKey is ARPPBTNVARTENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-20(18(21)15-6-3-7-16(19)13-15)12-4-5-14-8-10-17(22-2)11-9-14;/h3,6-11,13H,4-5,12,19H2,1-2H3;1H.
What are the key properties of 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride?
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119739240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).