4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide

C20H23NO3 — CID 17086729

IUPAC4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-4-12-23-19-7-5-6-17(13-19)21-20(22)16-8-10-18(11-9-16)24-14-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,21,22)
InChIKeyFZNUHBANLZRCLF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.54
Rot. Bonds8

About 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide

4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086729) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086729
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-4-12-23-19-7-5-6-17(13-19)21-20(22)16-8-10-18(11-9-16)24-14-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,21,22)
InChIKeyFZNUHBANLZRCLF-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086729) is 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is FZNUHBANLZRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-12-23-19-7-5-6-17(13-19)21-20(22)16-8-10-18(11-9-16)24-14-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,21,22).
What are the key properties of 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).