N-(1-cyanobutyl)-2,6-dimethoxybenzamide

C14H18N2O3 — CID 61120301

IUPACN-(1-cyanobutyl)-2,6-dimethoxybenzamide
SMILESCCCC(C#N)NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-6-10(9-15)16-14(17)13-11(18-2)7-5-8-12(13)19-3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17)
InChIKeyHTZUNTAKFOXLAN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds6

About N-(1-cyanobutyl)-2,6-dimethoxybenzamide

N-(1-cyanobutyl)-2,6-dimethoxybenzamide (PubChem CID 61120301) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2,6-dimethoxybenzamide
PubChem CID61120301
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1-cyanobutyl)-2,6-dimethoxybenzamide
SMILESCCCC(C#N)NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H18N2O3/c1-4-6-10(9-15)16-14(17)13-11(18-2)7-5-8-12(13)19-3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17)
InChIKeyHTZUNTAKFOXLAN-UHFFFAOYSA-N
XLogP2.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-(4-bromobutan-2-yl)-2,6-dimethoxybenzamide
CID 83179704
phenyl N-(1-cyanobutyl)carbamate
CID 61122017
N-(1-cyanobutyl)-3-methylsulfonylbenzamide
CID 61121684
2,6-dichloro-N-(1-cyano-2-ethylperoxyethyl)benzamide
CID 156702297
N-but-3-yn-2-yl-2,6-dimethoxybenzamide
CID 114418997
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2,6-dimethoxybenzohydrazide
CID 2806104

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(1-cyanobutyl)-2,6-dimethoxybenzamide (CID 61120301) is N-(1-cyanobutyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(1-cyanobutyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(1-cyanobutyl)-2,6-dimethoxybenzamide is CCCC(C#N)NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-(1-cyanobutyl)-2,6-dimethoxybenzamide?
The InChIKey is HTZUNTAKFOXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-6-10(9-15)16-14(17)13-11(18-2)7-5-8-12(13)19-3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyanobutyl)-2,6-dimethoxybenzamide?
N-(1-cyanobutyl)-2,6-dimethoxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 61120301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).