(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide

C18H23NO2 — CID 130351668

IUPAC(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)/C=C\COCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-4-6-13-18(20)19-16(2)10-9-14-21-15-17-11-7-5-8-12-17/h3-13,16H,14-15H2,1-2H3,(H,19,20)/b4-3+,10-9-,13-6+
InChIKeyFIODMEPHDGZVPE-AQILVYDPSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds8

About (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide

(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide (PubChem CID 130351668) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide
PubChem CID130351668
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)/C=C\COCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-4-6-13-18(20)19-16(2)10-9-14-21-15-17-11-7-5-8-12-17/h3-13,16H,14-15H2,1-2H3,(H,19,20)/b4-3+,10-9-,13-6+
InChIKeyFIODMEPHDGZVPE-AQILVYDPSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
benzyl 2-(hexa-2,4-dienoylamino)acetate
CID 78587830
(2S)-2-(but-2-enoylamino)-3-phenylpropanoic acid
CID 54470375
(E,2S)-6-phenylmethoxy-2-propan-2-ylhex-4-enoic acid
CID 54578512
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
ethyl 2-oxo-5-phenylmethoxypent-3-enoate
CID 71345997
methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
CID 101141877
(E,2S,3R)-1,6-bis(phenylmethoxy)-3-propan-2-ylhex-4-en-2-ol
CID 101421224
(2S)-2-[(Z)-3-phenylmethoxyprop-1-enyl]heptanoic acid
CID 101175569
(2S)-2-(hexa-2,4-dienoylamino)butanedioic acid
CID 114287498

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide (CID 130351668) is (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NC(C)/C=C\COCc1ccccc1.
What is the InChIKey of (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide?
The InChIKey is FIODMEPHDGZVPE-AQILVYDPSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-6-13-18(20)19-16(2)10-9-14-21-15-17-11-7-5-8-12-17/h3-13,16H,14-15H2,1-2H3,(H,19,20)/b4-3+,10-9-,13-6+.
What are the key properties of (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide?
(2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide has a molecular weight of 285.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(Z)-5-phenylmethoxypent-3-en-2-yl]hexa-2,4-dienamide is sourced from PubChem (CID 130351668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).