(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide

C15H28N2O — CID 22854492

IUPAC(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide
SMILESC=CC(CC1CCCCC1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H28N2O/c1-4-13(10-12-8-6-5-7-9-12)17-15(18)14(16)11(2)3/h4,11-14H,1,5-10,16H2,2-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyVVVORSYHCPNJDZ-KZUDCZAMSA-N
MW252.40 g/mol
LogP2.61
Rot. Bonds6

About (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide

(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide (PubChem CID 22854492) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide
PubChem CID22854492
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide
SMILESC=CC(CC1CCCCC1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H28N2O/c1-4-13(10-12-8-6-5-7-9-12)17-15(18)14(16)11(2)3/h4,11-14H,1,5-10,16H2,2-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyVVVORSYHCPNJDZ-KZUDCZAMSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide (CID 22854492) is (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide is C=CC(CC1CCCCC1)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide?
The InChIKey is VVVORSYHCPNJDZ-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-13(10-12-8-6-5-7-9-12)17-15(18)14(16)11(2)3/h4,11-14H,1,5-10,16H2,2-3H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide?
(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide has a molecular weight of 252.40 g/mol, XLogP of 2.61, 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-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide is sourced from PubChem (CID 22854492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).