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

C17H21NO — CID 142960008

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide
SMILESC=C/C=C(\C=C/C)c1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C17H21NO/c1-4-7-14(8-5-2)15-9-11-16(12-10-15)17(19)18-13-6-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,18,19)/b8-5-,14-7+
InChIKeyKTZXMUPFBCKXTC-FWODXUKCSA-N
MW255.36 g/mol
LogP3.97
Rot. Bonds6

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

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide (PubChem CID 142960008) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide
PubChem CID142960008
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide
SMILESC=C/C=C(\C=C/C)c1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C17H21NO/c1-4-7-14(8-5-2)15-9-11-16(12-10-15)17(19)18-13-6-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,18,19)/b8-5-,14-7+
InChIKeyKTZXMUPFBCKXTC-FWODXUKCSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.97
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

(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
ethane;4-ethyl-N-propylbenzamide
CID 142831348
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
4-(3-methylbut-2-enoylamino)-N-propylbenzamide
CID 47312802
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide (CID 142960008) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide is C=C/C=C(\C=C/C)c1ccc(C(=O)NCCC)cc1.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide?
The InChIKey is KTZXMUPFBCKXTC-FWODXUKCSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-7-14(8-5-2)15-9-11-16(12-10-15)17(19)18-13-6-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,18,19)/b8-5-,14-7+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide?
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide has a molecular weight of 255.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide is sourced from PubChem (CID 142960008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).