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

C21H25NO2 — CID 132650929

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H25NO2/c1-5-13-24-18-10-8-17(9-11-18)21(23)22-20(6-2)19-12-7-15(3)14-16(19)4/h5,7-12,14,20H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyJCTWECAOEDQEKA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.75
Rot. Bonds7

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

N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide (PubChem CID 132650929) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
PubChem CID132650929
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H25NO2/c1-5-13-24-18-10-8-17(9-11-18)21(23)22-20(6-2)19-12-7-15(3)14-16(19)4/h5,7-12,14,20H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyJCTWECAOEDQEKA-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.75
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-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132653395
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide (CID 132650929) is N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(CC)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide?
The InChIKey is JCTWECAOEDQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-5-13-24-18-10-8-17(9-11-18)21(23)22-20(6-2)19-12-7-15(3)14-16(19)4/h5,7-12,14,20H,1,6,13H2,2-4H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 132650929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).