3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide

C21H27NO2 — CID 100532843

IUPAC3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
SMILESCCCOc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-4-14-24-20-10-6-5-8-18(20)9-7-13-22-21(23)19-12-11-16(2)17(3)15-19/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23)
InChIKeyIOLPJKLWDBQNNT-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.45
Rot. Bonds8

About 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide

3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide (PubChem CID 100532843) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
PubChem CID100532843
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
SMILESCCCOc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H27NO2/c1-4-14-24-20-10-6-5-8-18(20)9-7-13-22-21(23)19-12-11-16(2)17(3)15-19/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23)
InChIKeyIOLPJKLWDBQNNT-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.45
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

4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100688787
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
CID 118762164
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide
CID 100585299
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
methyl 3-[3-(2-propoxyphenyl)propylcarbamothioylamino]benzoate
CID 100702870
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide (CID 100532843) is 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide is CCCOc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The InChIKey is IOLPJKLWDBQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-14-24-20-10-6-5-8-18(20)9-7-13-22-21(23)19-12-11-16(2)17(3)15-19/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide has a molecular weight of 325.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide is sourced from PubChem (CID 100532843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).