(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide

C12H24N2O — CID 118439860

IUPAC(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide
SMILESCCC/C=C/CCNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/b7-6+/t11-/m0/s1
InChIKeyASJCBVKMAMRABA-MLRMMBSGSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds8

About (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide

(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide (PubChem CID 118439860) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide
PubChem CID118439860
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide
SMILESCCC/C=C/CCNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/b7-6+/t11-/m0/s1
InChIKeyASJCBVKMAMRABA-MLRMMBSGSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Arachidonylcyclopropylamide
CID 5311007
N-propyl arachidonoyl amine
CID 5283394
N-ethyl arachidonoyl amine
CID 5283391
N-isopropyl arachidonoyl amine
CID 5283395
N-butyl arachidonoyl amine
CID 5283396
N-(1S-methyl-propyl)arachidonoylamide
CID 5283401
N-(1R-methyl-propyl)arachidonoylamide
CID 5283402
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid sec-butylamide
CID 10832336
N'-arachidonoyl-N''-diethylethylenediamine
CID 5283407
N-amyl arachidohoyl amine
CID 5283398
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 58416605
(5Z,8Z,11Z,14Z,17Z)-N-(2-Aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide (CID 118439860) is (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide is CCC/C=C/CCNC(=O)[C@@H](N)CCC.
What is the InChIKey of (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide?
The InChIKey is ASJCBVKMAMRABA-MLRMMBSGSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/b7-6+/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide?
(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide is sourced from PubChem (CID 118439860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).