N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide

C17H21NO — CID 134254475

IUPACN-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide
SMILESC=CC/C=C\C(=CCC)N(C(C)=O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-4-6-8-12-16(11-5-2)18(15(3)19)17-13-9-7-10-14-17/h4,7-14H,1,5-6H2,2-3H3/b12-8-,16-11?
InChIKeyJNTOEYFCXRVXNB-TYAWLKMTSA-N
MW255.36 g/mol
LogP4.47
Rot. Bonds6

About N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide

N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide (PubChem CID 134254475) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide
PubChem CID134254475
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide
SMILESC=CC/C=C\C(=CCC)N(C(C)=O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-4-6-8-12-16(11-5-2)18(15(3)19)17-13-9-7-10-14-17/h4,7-14H,1,5-6H2,2-3H3/b12-8-,16-11?
InChIKeyJNTOEYFCXRVXNB-TYAWLKMTSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide (CID 134254475) is N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide is C=CC/C=C\C(=CCC)N(C(C)=O)c1ccccc1.
What is the InChIKey of N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide?
The InChIKey is JNTOEYFCXRVXNB-TYAWLKMTSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-6-8-12-16(11-5-2)18(15(3)19)17-13-9-7-10-14-17/h4,7-14H,1,5-6H2,2-3H3/b12-8-,16-11?.
What are the key properties of N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide?
N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide has a molecular weight of 255.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide is sourced from PubChem (CID 134254475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).