N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide

C15H20N2O2 — CID 62503366

IUPACN-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-5-17(10-12(3)9-16)15(18)13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,10H2,1-4H3
InChIKeyYZWZDWADTRVPIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.63
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide

N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide (PubChem CID 62503366) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
PubChem CID62503366
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-5-17(10-12(3)9-16)15(18)13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,10H2,1-4H3
InChIKeyYZWZDWADTRVPIJ-UHFFFAOYSA-N
XLogP2.63
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
CID 62334596
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
5-(3-aminoprop-1-ynyl)-N-(2-cyanopropyl)-N-ethyl-2-methylbenzamide
CID 65310437
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide (CID 62503366) is N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide is CCN(CC(C)C#N)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The InChIKey is YZWZDWADTRVPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-17(10-12(3)9-16)15(18)13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,10H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide?
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62503366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).