N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide

C20H23NO2 — CID 132650382

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23NO2/c1-5-12-23-19-10-8-17(9-11-19)20(22)21-16(4)18-7-6-14(2)15(3)13-18/h5-11,13,16H,1,12H2,2-4H3,(H,21,22)
InChIKeyLAPSMUIFDVVORI-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide

N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide (PubChem CID 132650382) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide
PubChem CID132650382
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23NO2/c1-5-12-23-19-10-8-17(9-11-19)20(22)21-16(4)18-7-6-14(2)15(3)13-18/h5-11,13,16H,1,12H2,2-4H3,(H,21,22)
InChIKeyLAPSMUIFDVVORI-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-prop-2-enoxybenzamide
CID 133230488
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 133216429
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide (CID 132650382) is N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide?
The InChIKey is LAPSMUIFDVVORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-5-12-23-19-10-8-17(9-11-19)20(22)21-16(4)18-7-6-14(2)15(3)13-18/h5-11,13,16H,1,12H2,2-4H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 132650382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).