3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide

C12H14N2O2 — CID 60653626

IUPAC3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-2-14(6-7-15)12(16)11-5-3-4-10(8-11)9-13/h3-5,8,15H,2,6-7H2,1H3
InChIKeyUTJMMRVLJHCGPS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.01
Rot. Bonds4

About 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide

3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 60653626) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID60653626
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-2-14(6-7-15)12(16)11-5-3-4-10(8-11)9-13/h3-5,8,15H,2,6-7H2,1H3
InChIKeyUTJMMRVLJHCGPS-UHFFFAOYSA-N
XLogP1.01
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 60653626) is 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is UTJMMRVLJHCGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-14(6-7-15)12(16)11-5-3-4-10(8-11)9-13/h3-5,8,15H,2,6-7H2,1H3.
What are the key properties of 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide?
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 218.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60653626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).