N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride

C15H24ClN3O2 — CID 119527853

IUPACN-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
SMILESCN(C)C(=O)CCCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-18(2)15(20)10-6-9-14(19)17-11-13(16)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11,16H2,1-2H3,(H,17,19);1H
InChIKeyNGHVUJFFVPQEAR-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.48
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride

N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride (PubChem CID 119527853) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
PubChem CID119527853
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
SMILESCN(C)C(=O)CCCC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-18(2)15(20)10-6-9-14(19)17-11-13(16)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11,16H2,1-2H3,(H,17,19);1H
InChIKeyNGHVUJFFVPQEAR-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride (CID 119527853) is N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride is CN(C)C(=O)CCCC(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride?
The InChIKey is NGHVUJFFVPQEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-18(2)15(20)10-6-9-14(19)17-11-13(16)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride?
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride is sourced from PubChem (CID 119527853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).