N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide

C20H26N2O — CID 138657356

IUPACN-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(=C)NC(C)=O)/N=C/c1ccc(CCCCC)cc1
InChIInChI=1S/C20H26N2O/c1-5-6-7-8-19-11-13-20(14-12-19)15-21-16(2)9-10-17(3)22-18(4)23/h9-15H,2-3,5-8H2,1,4H3,(H,22,23)/b10-9-,21-15+
InChIKeyYZMJDKTYWAIWNI-BBBHCPNJSA-N
MW310.44 g/mol
LogP4.56
Rot. Bonds9

About N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide

N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide (PubChem CID 138657356) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide
PubChem CID138657356
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(=C)NC(C)=O)/N=C/c1ccc(CCCCC)cc1
InChIInChI=1S/C20H26N2O/c1-5-6-7-8-19-11-13-20(14-12-19)15-21-16(2)9-10-17(3)22-18(4)23/h9-15H,2-3,5-8H2,1,4H3,(H,22,23)/b10-9-,21-15+
InChIKeyYZMJDKTYWAIWNI-BBBHCPNJSA-N
XLogP4.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 54408874
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3-[(4-octylphenyl)methylidene]pentane-2,4-dione
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(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
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2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
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N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide (CID 138657356) is N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide is C=C(/C=C\C(=C)NC(C)=O)/N=C/c1ccc(CCCCC)cc1.
What is the InChIKey of N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is YZMJDKTYWAIWNI-BBBHCPNJSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-6-7-8-19-11-13-20(14-12-19)15-21-16(2)9-10-17(3)22-18(4)23/h9-15H,2-3,5-8H2,1,4H3,(H,22,23)/b10-9-,21-15+.
What are the key properties of N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide?
N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-[(4-pentylphenyl)methylideneamino]hexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 138657356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).