(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide

C14H28N2O — CID 24755413

IUPAC(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide
SMILESCCC/C=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)/b12-9+/t13-/m0/s1
InChIKeyOVXJFFQFBVOAQH-SRXBQZRASA-N
MW240.39 g/mol
LogP2.96
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide

(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide (PubChem CID 24755413) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide
PubChem CID24755413
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide
SMILESCCC/C=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)/b12-9+/t13-/m0/s1
InChIKeyOVXJFFQFBVOAQH-SRXBQZRASA-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-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 24755409
(2S)-N-[(E)-5-acetamidopent-1-enyl]-2-amino-4-methylpentanamide
CID 60006389
(2S)-5,6-diethyl-2-(2-methylpropyl)-1,2,4,7-tetrahydro-1,4-diazepin-3-one
CID 70667283
(2R)-N-[(E)-5-acetamidopent-1-enyl]-2-amino-4-methylpentanamide
CID 88001691
(Z)-2,5-diamino-6-methyl-N-propylhept-4-enamide
CID 88984632
(2S)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
CID 90881300
(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
CID 91133478
(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
CID 91323391
(2S)-2-amino-4-methyl-N-[(2S)-1-(oct-4-en-4-ylamino)-1-oxopropan-2-yl]pentanamide
CID 91579511
(2S)-2-amino-4-methyl-N-pent-4-en-2-ylpentanamide
CID 103811949
(3R,6S)-3-(methylamino)-5-propan-2-yl-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 117945306
(2S)-2-amino-N-[(2S)-1-[[(4R)-4-ethylcyclohexen-1-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 129208079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide (CID 24755413) is (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide is CCC/C=C(\CCC)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide?
The InChIKey is OVXJFFQFBVOAQH-SRXBQZRASA-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)/b12-9+/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide 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-[(E)-oct-4-en-4-yl]pentanamide is sourced from PubChem (CID 24755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).