(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide

C15H30N2O — CID 119812015

IUPAC(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCC(C)C1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-10(2)11-6-8-12(9-7-11)17-14(18)13(16)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)/t11?,12?,13-/m1/s1
InChIKeyJJZUOGHLZGBBHI-WXRRBKDZSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide (PubChem CID 119812015) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
PubChem CID119812015
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
SMILESCC(C)C1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-10(2)11-6-8-12(9-7-11)17-14(18)13(16)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)/t11?,12?,13-/m1/s1
InChIKeyJJZUOGHLZGBBHI-WXRRBKDZSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
CID 112753369
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide (CID 119812015) is (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide is CC(C)C1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
The InChIKey is JJZUOGHLZGBBHI-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)11-6-8-12(9-7-11)17-14(18)13(16)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)/t11?,12?,13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide is sourced from PubChem (CID 119812015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).