(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide

C15H30N2O — CID 119327911

IUPAC(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
SMILESCC(CCC1CCCCC1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(16)15(18)17-12(3)9-10-13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyXUZIAMPTAHKYNQ-PYMCNQPYSA-N
MW254.42 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide

(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide (PubChem CID 119327911) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
PubChem CID119327911
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
SMILESCC(CCC1CCCCC1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)14(16)15(18)17-12(3)9-10-13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyXUZIAMPTAHKYNQ-PYMCNQPYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
1-amino-N-(4-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119327905
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid
CID 122066546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide (CID 119327911) is (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide is CC(CCC1CCCCC1)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide?
The InChIKey is XUZIAMPTAHKYNQ-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)14(16)15(18)17-12(3)9-10-13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide?
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 119327911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).