3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

C13H15N3O2 — CID 61149660

IUPAC3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H15N3O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,9H2,1-2H3,(H,15,17)
InChIKeyQAKNXBZWLZUYDD-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.77
Rot. Bonds4

About 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 61149660) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID61149660
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H15N3O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,9H2,1-2H3,(H,15,17)
InChIKeyQAKNXBZWLZUYDD-UHFFFAOYSA-N
XLogP0.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
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N-(2-chloropropyl)-3-cyano-N-methylbenzamide
CID 63393862
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
N-[2-(2-chloroethoxy)ethyl]-3-cyano-N-methylbenzamide
CID 114242732
3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256
1-[(3-cyanobenzoyl)amino]-3-ethylthiourea
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CID 47042133

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (CID 61149660) is 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is QAKNXBZWLZUYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-15-12(17)9-16(2)13(18)11-6-4-5-10(7-11)8-14/h4-7H,3,9H2,1-2H3,(H,15,17).
What are the key properties of 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 61149660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).