N-hexyl-2,4,5-trimethoxybenzamide

C16H25NO4 — CID 32646107

IUPACN-hexyl-2,4,5-trimethoxybenzamide
SMILESCCCCCCNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H25NO4/c1-5-6-7-8-9-17-16(18)12-10-14(20-3)15(21-4)11-13(12)19-2/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXRAYGPQKPINEOW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.02
Rot. Bonds9

About N-hexyl-2,4,5-trimethoxybenzamide

N-hexyl-2,4,5-trimethoxybenzamide (PubChem CID 32646107) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-hexyl-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-hexyl-2,4,5-trimethoxybenzamide
PubChem CID32646107
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-hexyl-2,4,5-trimethoxybenzamide
SMILESCCCCCCNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H25NO4/c1-5-6-7-8-9-17-16(18)12-10-14(20-3)15(21-4)11-13(12)19-2/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXRAYGPQKPINEOW-UHFFFAOYSA-N
XLogP3.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.02
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

2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
2-methoxy-N-tridecylbenzamide
CID 139819873
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,4,5-trimethoxybenzamide?
The IUPAC name of N-hexyl-2,4,5-trimethoxybenzamide (CID 32646107) is N-hexyl-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-hexyl-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-hexyl-2,4,5-trimethoxybenzamide is CCCCCCNC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-hexyl-2,4,5-trimethoxybenzamide?
The InChIKey is XRAYGPQKPINEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-6-7-8-9-17-16(18)12-10-14(20-3)15(21-4)11-13(12)19-2/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of N-hexyl-2,4,5-trimethoxybenzamide?
N-hexyl-2,4,5-trimethoxybenzamide has a molecular weight of 295.38 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 32646107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).