4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride

C17H29ClN2O — CID 120563575

IUPAC4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
SMILESCCC(CC)(CNC(=O)CCC(C)N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(5-2,15-9-7-6-8-10-15)13-19-16(20)12-11-14(3)18;/h6-10,14H,4-5,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyWCXWXTKUJBFLGV-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.41
Rot. Bonds8

About 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride

4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride (PubChem CID 120563575) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
PubChem CID120563575
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
SMILESCCC(CC)(CNC(=O)CCC(C)N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(5-2,15-9-7-6-8-10-15)13-19-16(20)12-11-14(3)18;/h6-10,14H,4-5,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyWCXWXTKUJBFLGV-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide;hydrochloride
CID 119808349
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
CID 120563338
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
N-[2-[[N-(2-ethyl-2-phenylbutyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111694422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride (CID 120563575) is 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride is CCC(CC)(CNC(=O)CCC(C)N)c1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride?
The InChIKey is WCXWXTKUJBFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-17(5-2,15-9-7-6-8-10-15)13-19-16(20)12-11-14(3)18;/h6-10,14H,4-5,11-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride?
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride is sourced from PubChem (CID 120563575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).