N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride

C18H31ClN2O2 — CID 119658162

IUPACN-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-13(2)16(19)10-11-20(4)18(21)12-14(3)15-8-6-7-9-17(15)22-5;/h6-9,13-14,16H,10-12,19H2,1-5H3;1H
InChIKeyLMNOIEITUDYJOJ-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.44
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride (PubChem CID 119658162) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
PubChem CID119658162
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-13(2)16(19)10-11-20(4)18(21)12-14(3)15-8-6-7-9-17(15)22-5;/h6-9,13-14,16H,10-12,19H2,1-5H3;1H
InChIKeyLMNOIEITUDYJOJ-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119660284
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride (CID 119658162) is N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride is COc1ccccc1C(C)CC(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride?
The InChIKey is LMNOIEITUDYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-13(2)16(19)10-11-20(4)18(21)12-14(3)15-8-6-7-9-17(15)22-5;/h6-9,13-14,16H,10-12,19H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119658162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).