N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide

C21H27NO3 — CID 7924147

IUPACN-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
SMILESCCCOc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OCCC
InChIInChI=1S/C21H27NO3/c1-5-9-24-19-8-7-18(14-20(19)25-10-6-2)22-21(23)17-12-15(3)11-16(4)13-17/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,23)
InChIKeyLFJPMYKGBDNMEU-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.13
Rot. Bonds8

About N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide

N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide (PubChem CID 7924147) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
PubChem CID7924147
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
SMILESCCCOc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OCCC
InChIInChI=1S/C21H27NO3/c1-5-9-24-19-8-7-18(14-20(19)25-10-6-2)22-21(23)17-12-15(3)11-16(4)13-17/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,23)
InChIKeyLFJPMYKGBDNMEU-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide (CID 7924147) is N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide is CCCOc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide?
The InChIKey is LFJPMYKGBDNMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-9-24-19-8-7-18(14-20(19)25-10-6-2)22-21(23)17-12-15(3)11-16(4)13-17/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,23).
What are the key properties of N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide?
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 7924147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).