N-[(E)-hept-1-enyl]benzamide

C14H19NO — CID 6917534

IUPACN-[(E)-hept-1-enyl]benzamide
SMILESCCCCC/C=C/NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-12H,2-5H2,1H3,(H,15,16)/b12-9+
InChIKeyMLESFMVOWRTGFZ-FMIVXFBMSA-N
MW217.31 g/mol
LogP3.51
Rot. Bonds6

About N-[(E)-hept-1-enyl]benzamide

N-[(E)-hept-1-enyl]benzamide (PubChem CID 6917534) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(E)-hept-1-enyl]benzamide.

Molecular Properties

Compound NameN-[(E)-hept-1-enyl]benzamide
PubChem CID6917534
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(E)-hept-1-enyl]benzamide
SMILESCCCCC/C=C/NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-12H,2-5H2,1H3,(H,15,16)/b12-9+
InChIKeyMLESFMVOWRTGFZ-FMIVXFBMSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-dec-1-enyl]benzamide
CID 71501503
N-octadec-9-enylbenzamide
CID 54554566
N-pent-1-enyl-4-phenylbenzamide
CID 67329304
N-[(E)-6-(prop-2-enoylamino)hex-5-enyl]benzamide
CID 175440437
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
N-[(E)-dec-1-enyl]acetamide
CID 87894534
N'-octanoylbenzohydrazide
CID 4227469
N-oct-2-en-3-ylbenzamide
CID 69089961
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-1-enyl]benzamide?
The IUPAC name of N-[(E)-hept-1-enyl]benzamide (CID 6917534) is N-[(E)-hept-1-enyl]benzamide.
What is the SMILES notation for N-[(E)-hept-1-enyl]benzamide?
The canonical SMILES for N-[(E)-hept-1-enyl]benzamide is CCCCC/C=C/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-hept-1-enyl]benzamide?
The InChIKey is MLESFMVOWRTGFZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-12H,2-5H2,1H3,(H,15,16)/b12-9+.
What are the key properties of N-[(E)-hept-1-enyl]benzamide?
N-[(E)-hept-1-enyl]benzamide has a molecular weight of 217.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-1-enyl]benzamide is sourced from PubChem (CID 6917534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).