(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride

C15H31ClN2O2 — CID 119723107

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
SMILESCC1CCCCC1OCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H/t11?,12?,13-;/m1./s1
InChIKeyCAXXSLBCCMNCOD-MCEQWSITSA-N
MW306.88 g/mol
LogP2.49
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride (PubChem CID 119723107) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
PubChem CID119723107
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
SMILESCC1CCCCC1OCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H/t11?,12?,13-;/m1./s1
InChIKeyCAXXSLBCCMNCOD-MCEQWSITSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
2-amino-N-[2-(2-methylcyclohexyl)oxyethyl]-2-(oxan-4-yl)acetamide
CID 120787402
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99846542
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride (CID 119723107) is (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride is CC1CCCCC1OCCNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride?
The InChIKey is CAXXSLBCCMNCOD-MCEQWSITSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-11-7-5-6-8-12(11)19-10-9-17-14(18)13(16)15(2,3)4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H/t11?,12?,13-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride is sourced from PubChem (CID 119723107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).