2,3,4-trimethoxy-N-nonylbenzamide

C19H31NO4 — CID 46549952

IUPAC2,3,4-trimethoxy-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14-20-19(21)15-12-13-16(22-2)18(24-4)17(15)23-3/h12-13H,5-11,14H2,1-4H3,(H,20,21)
InChIKeyLIXDHRWLBNKAHK-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.19
Rot. Bonds12

About 2,3,4-trimethoxy-N-nonylbenzamide

2,3,4-trimethoxy-N-nonylbenzamide (PubChem CID 46549952) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-nonylbenzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-nonylbenzamide
PubChem CID46549952
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name2,3,4-trimethoxy-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14-20-19(21)15-12-13-16(22-2)18(24-4)17(15)23-3/h12-13H,5-11,14H2,1-4H3,(H,20,21)
InChIKeyLIXDHRWLBNKAHK-UHFFFAOYSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-tridecylbenzamide
CID 139819873
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
CID 46613320
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-nonylbenzamide?
The IUPAC name of 2,3,4-trimethoxy-N-nonylbenzamide (CID 46549952) is 2,3,4-trimethoxy-N-nonylbenzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-nonylbenzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-nonylbenzamide?
The InChIKey is LIXDHRWLBNKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14-20-19(21)15-12-13-16(22-2)18(24-4)17(15)23-3/h12-13H,5-11,14H2,1-4H3,(H,20,21).
What are the key properties of 2,3,4-trimethoxy-N-nonylbenzamide?
2,3,4-trimethoxy-N-nonylbenzamide has a molecular weight of 337.46 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-nonylbenzamide is sourced from PubChem (CID 46549952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).