(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide

C14H28N2O — CID 91133478

IUPAC(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
SMILESCCCC=C(CCC)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O/c1-5-7-9-12(8-6-2)16-14(17)13(15)10-11(3)4/h9,11,13H,5-8,10,15H2,1-4H3,(H,16,17)/t13-/m0/s1
InChIKeyOVXJFFQFBVOAQH-ZDUSSCGKSA-N
MW240.39 g/mol
LogP2.96
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide

(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide (PubChem CID 91133478) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
PubChem CID91133478
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
SMILESCCCC=C(CCC)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O/c1-5-7-9-12(8-6-2)16-14(17)13(15)10-11(3)4/h9,11,13H,5-8,10,15H2,1-4H3,(H,16,17)/t13-/m0/s1
InChIKeyOVXJFFQFBVOAQH-ZDUSSCGKSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butanoyl-4-methylpentanamide
CID 150853762
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
2-amino-4-methylpentanoic acid;butanoic acid
CID 175118720
4-amino-2-methyltetradecan-5-one
CID 116553430
(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide (CID 91133478) is (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide is CCCC=C(CCC)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide?
The InChIKey is OVXJFFQFBVOAQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-9-12(8-6-2)16-14(17)13(15)10-11(3)4/h9,11,13H,5-8,10,15H2,1-4H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide?
(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide is sourced from PubChem (CID 91133478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).