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

C21H27NO2 — CID 100688787

IUPAC2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
SMILESCCCOc1ccccc1CCCNC(=O)c1ccc(C)cc1C
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)15-17(19)3/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23)
InChIKeyDTFKCENFSDKEFA-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.45
Rot. Bonds8

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

2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide (PubChem CID 100688787) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
PubChem CID100688787
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
SMILESCCCOc1ccccc1CCCNC(=O)c1ccc(C)cc1C
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)15-17(19)3/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23)
InChIKeyDTFKCENFSDKEFA-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

3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
2-iodo-N-[3-(2-methoxyphenyl)propyl]-4-methylbenzamide
CID 100526608
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
2,4-dimethyl-N-[3-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982560
2-(3-methyl-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132669642
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
2-propoxy-N-propylbenzamide
CID 58831728

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide (CID 100688787) is 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide is CCCOc1ccccc1CCCNC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
The InChIKey is DTFKCENFSDKEFA-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)15-17(19)3/h5-6,8,10-12,15H,4,7,9,13-14H2,1-3H3,(H,22,23).
What are the key properties of 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide?
2,4-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 2,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide is sourced from PubChem (CID 100688787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).