(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride

C16H33ClN2O — CID 119809042

IUPAC(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)C(C)(C)C)C(C)C1CCCCC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-11(13-9-7-6-8-10-13)12(2)18-15(19)14(17)16(3,4)5;/h11-14H,6-10,17H2,1-5H3,(H,18,19);1H/t11?,12?,14-;/m1./s1
InChIKeyHIYMUUANRPQBJT-CTYRZGFYSA-N
MW304.91 g/mol
LogP3.50
Rot. Bonds4

About (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119809042) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119809042
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)C(C)(C)C)C(C)C1CCCCC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-11(13-9-7-6-8-10-13)12(2)18-15(19)14(17)16(3,4)5;/h11-14H,6-10,17H2,1-5H3,(H,18,19);1H/t11?,12?,14-;/m1./s1
InChIKeyHIYMUUANRPQBJT-CTYRZGFYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
CID 120501833
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride (CID 119809042) is (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride is CC(NC(=O)[C@@H](N)C(C)(C)C)C(C)C1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is HIYMUUANRPQBJT-CTYRZGFYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-11(13-9-7-6-8-10-13)12(2)18-15(19)14(17)16(3,4)5;/h11-14H,6-10,17H2,1-5H3,(H,18,19);1H/t11?,12?,14-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119809042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).