N-butyl-2,3-dimethoxy-N-methylbenzamide

C14H21NO3 — CID 78796146

IUPACN-butyl-2,3-dimethoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-5-6-10-15(2)14(16)11-8-7-9-12(17-3)13(11)18-4/h7-9H,5-6,10H2,1-4H3
InChIKeySIBPEYBNPHXKAX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.58
Rot. Bonds6

About N-butyl-2,3-dimethoxy-N-methylbenzamide

N-butyl-2,3-dimethoxy-N-methylbenzamide (PubChem CID 78796146) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butyl-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-2,3-dimethoxy-N-methylbenzamide
PubChem CID78796146
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butyl-2,3-dimethoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-5-6-10-15(2)14(16)11-8-7-9-12(17-3)13(11)18-4/h7-9H,5-6,10H2,1-4H3
InChIKeySIBPEYBNPHXKAX-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269
3-amino-N-butyl-2-ethoxy-N-methylbenzamide
CID 113386345
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
bis(2,3-dimethoxybenzoate);dioctyltin(2+)
CID 159937238

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of N-butyl-2,3-dimethoxy-N-methylbenzamide (CID 78796146) is N-butyl-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-butyl-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-butyl-2,3-dimethoxy-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-butyl-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is SIBPEYBNPHXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-6-10-15(2)14(16)11-8-7-9-12(17-3)13(11)18-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of N-butyl-2,3-dimethoxy-N-methylbenzamide?
N-butyl-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 78796146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).