ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide

C15H29NO — CID 143705055

IUPACethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide
SMILESC=C/C=C(\C=C/C)NC(=O)CCC.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-7-10(8-5-2)12-11(13)9-6-3;2*1-2/h4-5,7-8H,1,6,9H2,2-3H3,(H,12,13);2*1-2H3/b8-5-,10-7+;;
InChIKeyXBXZKBJCQHOQKX-QCQLBQLSSA-N
MW239.40 g/mol
LogP4.60
Rot. Bonds5

About ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide

ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide (PubChem CID 143705055) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide.

Molecular Properties

Compound Nameethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide
PubChem CID143705055
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide
SMILESC=C/C=C(\C=C/C)NC(=O)CCC.CC.CC
InChIInChI=1S/C11H17NO.2C2H6/c1-4-7-10(8-5-2)12-11(13)9-6-3;2*1-2/h4-5,7-8H,1,6,9H2,2-3H3,(H,12,13);2*1-2H3/b8-5-,10-7+;;
InChIKeyXBXZKBJCQHOQKX-QCQLBQLSSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
CID 144539049
N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 145422849
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 141929066
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 144482461

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide?
The IUPAC name of ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide (CID 143705055) is ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide.
What is the SMILES notation for ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide?
The canonical SMILES for ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide is C=C/C=C(\C=C/C)NC(=O)CCC.CC.CC.
What is the InChIKey of ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide?
The InChIKey is XBXZKBJCQHOQKX-QCQLBQLSSA-N. The full InChI is InChI=1S/C11H17NO.2C2H6/c1-4-7-10(8-5-2)12-11(13)9-6-3;2*1-2/h4-5,7-8H,1,6,9H2,2-3H3,(H,12,13);2*1-2H3/b8-5-,10-7+;;.
What are the key properties of ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide?
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide has a molecular weight of 239.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide is sourced from PubChem (CID 143705055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).