3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride

C15H25ClN2O2 — CID 120501802

IUPAC3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(17-15(19)11(2)12(3)16)9-14(18)13-7-5-4-6-8-13;/h4-8,10-12,14,18H,9,16H2,1-3H3,(H,17,19);1H
InChIKeyMGMYUJHIKPZSPS-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.02
Rot. Bonds6

About 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride

3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride (PubChem CID 120501802) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
PubChem CID120501802
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(17-15(19)11(2)12(3)16)9-14(18)13-7-5-4-6-8-13;/h4-8,10-12,14,18H,9,16H2,1-3H3,(H,17,19);1H
InChIKeyMGMYUJHIKPZSPS-UHFFFAOYSA-N
XLogP2.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668952
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119808297
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 71919961
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
CID 71757982
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride (CID 120501802) is 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride is CC(CC(O)c1ccccc1)NC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride?
The InChIKey is MGMYUJHIKPZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-10(17-15(19)11(2)12(3)16)9-14(18)13-7-5-4-6-8-13;/h4-8,10-12,14,18H,9,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride?
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).