4-methoxy-N-penta-1,4-dien-3-ylbenzamide

C13H15NO2 — CID 138979446

IUPAC4-methoxy-N-penta-1,4-dien-3-ylbenzamide
SMILESC=CC(C=C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO2/c1-4-11(5-2)14-13(15)10-6-8-12(16-3)9-7-10/h4-9,11H,1-2H2,3H3,(H,14,15)
InChIKeyYQTWATMNXOIKGD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.17
Rot. Bonds5

About 4-methoxy-N-penta-1,4-dien-3-ylbenzamide

4-methoxy-N-penta-1,4-dien-3-ylbenzamide (PubChem CID 138979446) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methoxy-N-penta-1,4-dien-3-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-penta-1,4-dien-3-ylbenzamide
PubChem CID138979446
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methoxy-N-penta-1,4-dien-3-ylbenzamide
SMILESC=CC(C=C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO2/c1-4-11(5-2)14-13(15)10-6-8-12(16-3)9-7-10/h4-9,11H,1-2H2,3H3,(H,14,15)
InChIKeyYQTWATMNXOIKGD-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-penta-1,4-dien-3-ylbenzamide 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

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
CID 51602914
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-formyl-4-methoxybenzamide
CID 10856056
(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanedioic acid
CID 54549450
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
CID 114294761
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-penta-1,4-dien-3-ylbenzamide?
The IUPAC name of 4-methoxy-N-penta-1,4-dien-3-ylbenzamide (CID 138979446) is 4-methoxy-N-penta-1,4-dien-3-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-penta-1,4-dien-3-ylbenzamide?
The canonical SMILES for 4-methoxy-N-penta-1,4-dien-3-ylbenzamide is C=CC(C=C)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-penta-1,4-dien-3-ylbenzamide?
The InChIKey is YQTWATMNXOIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-11(5-2)14-13(15)10-6-8-12(16-3)9-7-10/h4-9,11H,1-2H2,3H3,(H,14,15).
What are the key properties of 4-methoxy-N-penta-1,4-dien-3-ylbenzamide?
4-methoxy-N-penta-1,4-dien-3-ylbenzamide has a molecular weight of 217.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-penta-1,4-dien-3-ylbenzamide is sourced from PubChem (CID 138979446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).