N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide

C11H20N2O3 — CID 143666608

IUPACN-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide
SMILESC/C=C(\C)NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C11H20N2O3/c1-3-9(2)12-10(14)7-5-4-6-8-11(15)13-16/h3,16H,4-8H2,1-2H3,(H,12,14)(H,13,15)/b9-3+
InChIKeyBISPHUPNSAKXSW-YCRREMRBSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds7

About N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide

N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide (PubChem CID 143666608) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide
PubChem CID143666608
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide
SMILESC/C=C(\C)NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C11H20N2O3/c1-3-9(2)12-10(14)7-5-4-6-8-11(15)13-16/h3,16H,4-8H2,1-2H3,(H,12,14)(H,13,15)/b9-3+
InChIKeyBISPHUPNSAKXSW-YCRREMRBSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
CID 88613344
N'-hydroxy-N-prop-1-en-2-yloctanediamide
CID 88928974
N'-hydroxy-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]octanediamide
CID 88945245
N-prop-1-en-2-ylheptanamide
CID 89354267
N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
CID 123284208
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
CID 123635058
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
CID 142895284
N-[(E)-but-2-en-2-yl]hexanamide
CID 144141551
N-[(Z)-but-2-en-2-yl]nonanamide
CID 150035413
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide;methanamine
CID 171642372
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide
CID 142895285

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide (CID 143666608) is N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide is C/C=C(\C)NC(=O)CCCCCC(=O)NO.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide?
The InChIKey is BISPHUPNSAKXSW-YCRREMRBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9(2)12-10(14)7-5-4-6-8-11(15)13-16/h3,16H,4-8H2,1-2H3,(H,12,14)(H,13,15)/b9-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide?
N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide has a molecular weight of 228.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide is sourced from PubChem (CID 143666608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).