(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide

C14H28N2O — CID 122595251

IUPAC(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
SMILESCC(C)(C)N[C@@H](CCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-12(13(15)17)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H2,15,17)/t12-/m0/s1
InChIKeyKMMRLJYFQHGKDY-LBPRGKRZSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds5

About (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide

(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide (PubChem CID 122595251) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
PubChem CID122595251
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
SMILESCC(C)(C)N[C@@H](CCC1CCCCC1)C(N)=O
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-12(13(15)17)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H2,15,17)/t12-/m0/s1
InChIKeyKMMRLJYFQHGKDY-LBPRGKRZSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
CID 22972622
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
CID 70436273
(2R)-4-cyclohexyl-2-(methanesulfonamido)butanoic acid
CID 59765420
2-amino-4-cyclobutylbutanamide
CID 131227587
1,5-dicyclohexylpentan-3-ol
CID 56981010
2-(2-cyclobutylethylamino)butanamide
CID 115688602
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide?
The IUPAC name of (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide (CID 122595251) is (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide.
What is the SMILES notation for (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide?
The canonical SMILES for (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide is CC(C)(C)N[C@@H](CCC1CCCCC1)C(N)=O.
What is the InChIKey of (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide?
The InChIKey is KMMRLJYFQHGKDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)16-12(13(15)17)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H2,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide?
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-4-cyclohexylbutanamide is sourced from PubChem (CID 122595251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).