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

C14H18N2O2 — CID 62503533

IUPACN-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H18N2O2/c1-4-16(9-5-8-15)14(17)12-10-11(2)6-7-13(12)18-3/h6-7,10H,4-5,9H2,1-3H3
InChIKeyMQTPQDYYDHJPPW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.38
Rot. Bonds5

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

N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide (PubChem CID 62503533) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
PubChem CID62503533
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H18N2O2/c1-4-16(9-5-8-15)14(17)12-10-11(2)6-7-13(12)18-3/h6-7,10H,4-5,9H2,1-3H3
InChIKeyMQTPQDYYDHJPPW-UHFFFAOYSA-N
XLogP2.38
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
CID 51180457
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide (CID 62503533) is N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide is CCN(CCC#N)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide?
The InChIKey is MQTPQDYYDHJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16(9-5-8-15)14(17)12-10-11(2)6-7-13(12)18-3/h6-7,10H,4-5,9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide?
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62503533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).