N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride

C18H31ClN2O2 — CID 119661185

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
SMILESCc1ccccc1OCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-14(2)16(19)11-12-20(4)18(21)10-7-13-22-17-9-6-5-8-15(17)3;/h5-6,8-9,14,16H,7,10-13,19H2,1-4H3;1H
InChIKeyXPWXRBOSXPBUKS-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.41
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride (PubChem CID 119661185) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
PubChem CID119661185
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
SMILESCc1ccccc1OCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-14(2)16(19)11-12-20(4)18(21)10-7-13-22-17-9-6-5-8-15(17)3;/h5-6,8-9,14,16H,7,10-13,19H2,1-4H3;1H
InChIKeyXPWXRBOSXPBUKS-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride (CID 119661185) is N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride is Cc1ccccc1OCCCC(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride?
The InChIKey is XPWXRBOSXPBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-14(2)16(19)11-12-20(4)18(21)10-7-13-22-17-9-6-5-8-15(17)3;/h5-6,8-9,14,16H,7,10-13,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.41, 9 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)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119661185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).