N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide

C20H25NO2 — CID 84534524

IUPACN-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-12-16(3)19(13-15(14)2)20(22)21-11-5-6-17-7-9-18(23-4)10-8-17/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyBHHJOLAETOCLEZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.98
Rot. Bonds6

About N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide

N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide (PubChem CID 84534524) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
PubChem CID84534524
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-12-16(3)19(13-15(14)2)20(22)21-11-5-6-17-7-9-18(23-4)10-8-17/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChIKeyBHHJOLAETOCLEZ-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
CID 100715842
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 77089921
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide (CID 84534524) is N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide is COc1ccc(CCCNC(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
The InChIKey is BHHJOLAETOCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-12-16(3)19(13-15(14)2)20(22)21-11-5-6-17-7-9-18(23-4)10-8-17/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide?
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 84534524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).