(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride

C16H27ClN2O — CID 119267839

IUPAC(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-15(17)16(19)18-12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19);1H/t12?,15-;/m0./s1
InChIKeyOJSUUUDJZHLABS-GNFRJPFZSA-N
MW298.86 g/mol
LogP3.22
Rot. Bonds6

About (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119267839) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119267839
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-15(17)16(19)18-12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19);1H/t12?,15-;/m0./s1
InChIKeyOJSUUUDJZHLABS-GNFRJPFZSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride (CID 119267839) is (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is OJSUUUDJZHLABS-GNFRJPFZSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-15(17)16(19)18-12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12,15H,5,10,17H2,1-4H3,(H,18,19);1H/t12?,15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119267839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).