3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide

C15H19N3O2 — CID 47356566

IUPAC3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O2/c1-4-8-18(11-14(19)17(2)3)15(20)13-7-5-6-12(9-13)10-16/h5-7,9H,4,8,11H2,1-3H3
InChIKeyLUSUCPUJVRQOTC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.50
Rot. Bonds5

About 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide

3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 47356566) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID47356566
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O2/c1-4-8-18(11-14(19)17(2)3)15(20)13-7-5-6-12(9-13)10-16/h5-7,9H,4,8,11H2,1-3H3
InChIKeyLUSUCPUJVRQOTC-UHFFFAOYSA-N
XLogP1.50
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
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CID 47446256
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CID 109056658
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916469
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
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CID 61012479

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide (CID 47356566) is 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N(C)C)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is LUSUCPUJVRQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-8-18(11-14(19)17(2)3)15(20)13-7-5-6-12(9-13)10-16/h5-7,9H,4,8,11H2,1-3H3.
What are the key properties of 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 47356566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).