2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride

C16H27ClN2O — CID 119269406

IUPAC2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18-12(4)14-9-7-13(8-10-14)11(2)3;/h7-12,15H,5-6,17H2,1-4H3,(H,18,19);1H
InChIKeyOAAZMLLRZPILNM-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.54
Rot. Bonds6

About 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride

2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride (PubChem CID 119269406) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
PubChem CID119269406
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18-12(4)14-9-7-13(8-10-14)11(2)3;/h7-12,15H,5-6,17H2,1-4H3,(H,18,19);1H
InChIKeyOAAZMLLRZPILNM-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride (CID 119269406) is 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is OAAZMLLRZPILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-6-15(17)16(19)18-12(4)14-9-7-13(8-10-14)11(2)3;/h7-12,15H,5-6,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119269406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).