3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide

C20H23NO3 — CID 86952806

IUPAC3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
SMILESC/C=C/CCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-3-4-8-13-21-20(22)17-11-12-18(19(14-17)23-2)24-15-16-9-6-5-7-10-16/h3-7,9-12,14H,8,13,15H2,1-2H3,(H,21,22)/b4-3+
InChIKeySKAMYPFAPFHOHQ-ONEGZZNKSA-N
MW325.41 g/mol
LogP3.97
Rot. Bonds8

About 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide

3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide (PubChem CID 86952806) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
PubChem CID86952806
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
SMILESC/C=C/CCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO3/c1-3-4-8-13-21-20(22)17-11-12-18(19(14-17)23-2)24-15-16-9-6-5-7-10-16/h3-7,9-12,14H,8,13,15H2,1-2H3,(H,21,22)/b4-3+
InChIKeySKAMYPFAPFHOHQ-ONEGZZNKSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3-methoxy-4-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628088
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide (CID 86952806) is 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide is C/C=C/CCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide?
The InChIKey is SKAMYPFAPFHOHQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-4-8-13-21-20(22)17-11-12-18(19(14-17)23-2)24-15-16-9-6-5-7-10-16/h3-7,9-12,14H,8,13,15H2,1-2H3,(H,21,22)/b4-3+.
What are the key properties of 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide?
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 86952806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).