N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride

C18H31ClN2O2 — CID 119661117

IUPACN-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)N(C)CCC(N)C(C)C)cc1C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-13(2)17(19)8-10-20(5)18(21)9-11-22-16-7-6-14(3)15(4)12-16;/h6-7,12-13,17H,8-11,19H2,1-5H3;1H
InChIKeyANLRIODFEZYGJZ-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.33
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride (PubChem CID 119661117) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
PubChem CID119661117
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)N(C)CCC(N)C(C)C)cc1C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-13(2)17(19)8-10-20(5)18(21)9-11-22-16-7-6-14(3)15(4)12-16;/h6-7,12-13,17H,8-11,19H2,1-5H3;1H
InChIKeyANLRIODFEZYGJZ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
CID 119661293
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride (CID 119661117) is N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride is Cc1ccc(OCCC(=O)N(C)CCC(N)C(C)C)cc1C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
The InChIKey is ANLRIODFEZYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-13(2)17(19)8-10-20(5)18(21)9-11-22-16-7-6-14(3)15(4)12-16;/h6-7,12-13,17H,8-11,19H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.33, 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-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119661117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).