N-dodecyl-3,4-dimethoxybenzamide

C21H35NO3 — CID 4193156

IUPACN-dodecyl-3,4-dimethoxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H35NO3/c1-4-5-6-7-8-9-10-11-12-13-16-22-21(23)18-14-15-19(24-2)20(17-18)25-3/h14-15,17H,4-13,16H2,1-3H3,(H,22,23)
InChIKeyAOJDDHRWDUBGPM-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.35
Rot. Bonds14

About N-dodecyl-3,4-dimethoxybenzamide

N-dodecyl-3,4-dimethoxybenzamide (PubChem CID 4193156) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-dodecyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-dodecyl-3,4-dimethoxybenzamide
PubChem CID4193156
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC NameN-dodecyl-3,4-dimethoxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H35NO3/c1-4-5-6-7-8-9-10-11-12-13-16-22-21(23)18-14-15-19(24-2)20(17-18)25-3/h14-15,17H,4-13,16H2,1-3H3,(H,22,23)
InChIKeyAOJDDHRWDUBGPM-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Capsaicin
CID 1548943
Trimethobenzamide
CID 5577
Zucapsaicin
CID 1548942
Olvanil
CID 5311093
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
Ethamivan
CID 9363
Troxipide
CID 5597
Itopride
CID 3792
Arvanil
CID 6449767
Nordihydrocapsaicin
CID 168836
Itopride Hydrochloride
CID 129791

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3,4-dimethoxybenzamide?
The IUPAC name of N-dodecyl-3,4-dimethoxybenzamide (CID 4193156) is N-dodecyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-dodecyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-dodecyl-3,4-dimethoxybenzamide is CCCCCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-dodecyl-3,4-dimethoxybenzamide?
The InChIKey is AOJDDHRWDUBGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3/c1-4-5-6-7-8-9-10-11-12-13-16-22-21(23)18-14-15-19(24-2)20(17-18)25-3/h14-15,17H,4-13,16H2,1-3H3,(H,22,23).
What are the key properties of N-dodecyl-3,4-dimethoxybenzamide?
N-dodecyl-3,4-dimethoxybenzamide has a molecular weight of 349.52 g/mol, XLogP of 5.35, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 4193156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).