N-[(E)-but-2-enyl]-2-ethylpentanamide

C11H21NO — CID 178010270

IUPACN-[(E)-but-2-enyl]-2-ethylpentanamide
SMILESC/C=C/CNC(=O)C(CC)CCC
InChIInChI=1S/C11H21NO/c1-4-7-9-12-11(13)10(6-3)8-5-2/h4,7,10H,5-6,8-9H2,1-3H3,(H,12,13)/b7-4+
InChIKeyYEDAATRUKLLHDV-QPJJXVBHSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds6

About N-[(E)-but-2-enyl]-2-ethylpentanamide

N-[(E)-but-2-enyl]-2-ethylpentanamide (PubChem CID 178010270) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethylpentanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethylpentanamide
PubChem CID178010270
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(E)-but-2-enyl]-2-ethylpentanamide
SMILESC/C=C/CNC(=O)C(CC)CCC
InChIInChI=1S/C11H21NO/c1-4-7-9-12-11(13)10(6-3)8-5-2/h4,7,10H,5-6,8-9H2,1-3H3,(H,12,13)/b7-4+
InChIKeyYEDAATRUKLLHDV-QPJJXVBHSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
CID 178010353
2-ethyl-N-undecylpentanamide
CID 160695439
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
CID 154930180
(Z)-2-propylhex-4-enoic acid
CID 59965143
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-ethyl-N-pentylhexanamide
CID 5123867
2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
N-(2-aminopentyl)-2-ethylbutanamide
CID 115737781
5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide
CID 139501120

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethylpentanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethylpentanamide (CID 178010270) is N-[(E)-but-2-enyl]-2-ethylpentanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethylpentanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethylpentanamide is C/C=C/CNC(=O)C(CC)CCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethylpentanamide?
The InChIKey is YEDAATRUKLLHDV-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-9-12-11(13)10(6-3)8-5-2/h4,7,10H,5-6,8-9H2,1-3H3,(H,12,13)/b7-4+.
What are the key properties of N-[(E)-but-2-enyl]-2-ethylpentanamide?
N-[(E)-but-2-enyl]-2-ethylpentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-ethylpentanamide is sourced from PubChem (CID 178010270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).