(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride

C15H25ClN2O2 — CID 119285670

IUPAC(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-5-14(16)15(18)17-11(4)12-6-8-13(9-7-12)19-10(2)3;/h6-11,14H,5,16H2,1-4H3,(H,17,18);1H/t11?,14-;/m0./s1
InChIKeyCUMICJONVCAOBC-WKRKBMNRSA-N
MW300.83 g/mol
LogP2.81
Rot. Bonds6

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

(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119285670) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
PubChem CID119285670
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-5-14(16)15(18)17-11(4)12-6-8-13(9-7-12)19-10(2)3;/h6-11,14H,5,16H2,1-4H3,(H,17,18);1H/t11?,14-;/m0./s1
InChIKeyCUMICJONVCAOBC-WKRKBMNRSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride (CID 119285670) is (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)c1ccc(OC(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is CUMICJONVCAOBC-WKRKBMNRSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-5-14(16)15(18)17-11(4)12-6-8-13(9-7-12)19-10(2)3;/h6-11,14H,5,16H2,1-4H3,(H,17,18);1H/t11?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119285670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).