N-butyl-2-methoxy-N,4,5-trimethylbenzamide

C15H23NO2 — CID 110761549

IUPACN-butyl-2-methoxy-N,4,5-trimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H23NO2/c1-6-7-8-16(4)15(17)13-9-11(2)12(3)10-14(13)18-5/h9-10H,6-8H2,1-5H3
InChIKeyHIVIXRALCDISGT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds5

About N-butyl-2-methoxy-N,4,5-trimethylbenzamide

N-butyl-2-methoxy-N,4,5-trimethylbenzamide (PubChem CID 110761549) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butyl-2-methoxy-N,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N,4,5-trimethylbenzamide
PubChem CID110761549
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butyl-2-methoxy-N,4,5-trimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H23NO2/c1-6-7-8-16(4)15(17)13-9-11(2)12(3)10-14(13)18-5/h9-10H,6-8H2,1-5H3
InChIKeyHIVIXRALCDISGT-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141
5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
CID 107202751
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
N-[2-(dimethylamino)ethyl]-2-methoxy-N,4-dimethylbenzamide
CID 58484242
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N,4,5-trimethylbenzamide?
The IUPAC name of N-butyl-2-methoxy-N,4,5-trimethylbenzamide (CID 110761549) is N-butyl-2-methoxy-N,4,5-trimethylbenzamide.
What is the SMILES notation for N-butyl-2-methoxy-N,4,5-trimethylbenzamide?
The canonical SMILES for N-butyl-2-methoxy-N,4,5-trimethylbenzamide is CCCCN(C)C(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of N-butyl-2-methoxy-N,4,5-trimethylbenzamide?
The InChIKey is HIVIXRALCDISGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-7-8-16(4)15(17)13-9-11(2)12(3)10-14(13)18-5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-butyl-2-methoxy-N,4,5-trimethylbenzamide?
N-butyl-2-methoxy-N,4,5-trimethylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N,4,5-trimethylbenzamide is sourced from PubChem (CID 110761549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).