3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

C14H18N2O2 — CID 54942871

IUPAC3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)C(C)COC
InChIInChI=1S/C14H18N2O2/c1-4-16(11(2)10-18-3)14(17)13-7-5-6-12(8-13)9-15/h5-8,11H,4,10H2,1-3H3
InChIKeyATWBUTUARRNXCW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds5

About 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 54942871) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID54942871
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)C(C)COC
InChIInChI=1S/C14H18N2O2/c1-4-16(11(2)10-18-3)14(17)13-7-5-6-12(8-13)9-15/h5-8,11H,4,10H2,1-3H3
InChIKeyATWBUTUARRNXCW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-cyanobenzoyl)-propan-2-ylamino]acetate
CID 54941803
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3-cyano-N-(cyanomethyl)-N-ethylbenzamide
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3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (CID 54942871) is 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1cccc(C#N)c1)C(C)COC.
What is the InChIKey of 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is ATWBUTUARRNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16(11(2)10-18-3)14(17)13-7-5-6-12(8-13)9-15/h5-8,11H,4,10H2,1-3H3.
What are the key properties of 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 54942871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).