N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide

C14H18N2O2 — CID 8778883

IUPACN-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-11-18-13-7-5-12(6-8-13)14(17)16(2)10-4-9-15/h5-8H,3-4,10-11H2,1-2H3
InChIKeyGRVXJMILBULKBK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.46
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide

N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide (PubChem CID 8778883) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
PubChem CID8778883
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-11-18-13-7-5-12(6-8-13)14(17)16(2)10-4-9-15/h5-8H,3-4,10-11H2,1-2H3
InChIKeyGRVXJMILBULKBK-UHFFFAOYSA-N
XLogP2.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 55370291
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
(2R)-N-(2-cyanoethyl)-N-methyl-2-(3-propoxyanilino)propanamide
CID 96531118
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide (CID 8778883) is N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)CCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide?
The InChIKey is GRVXJMILBULKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-11-18-13-7-5-12(6-8-13)14(17)16(2)10-4-9-15/h5-8H,3-4,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide?
N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 8778883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).