N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride

C17H29ClN2O — CID 119658945

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCC(N)C(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)16(18)10-11-19(4)17(20)12-14(3)15-8-6-5-7-9-15;/h5-9,13-14,16H,10-12,18H2,1-4H3;1H
InChIKeyGPXPUNOHALOOLX-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.43
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride (PubChem CID 119658945) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
PubChem CID119658945
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCC(N)C(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)16(18)10-11-19(4)17(20)12-14(3)15-8-6-5-7-9-15;/h5-9,13-14,16H,10-12,18H2,1-4H3;1H
InChIKeyGPXPUNOHALOOLX-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119657249
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride (CID 119658945) is N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride is CC(CC(=O)N(C)CCC(N)C(C)C)c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride?
The InChIKey is GPXPUNOHALOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-13(2)16(18)10-11-19(4)17(20)12-14(3)15-8-6-5-7-9-15;/h5-9,13-14,16H,10-12,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119658945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).