N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide

C18H18N2O2 — CID 24694454

IUPACN-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
SMILESCCOc1ccccc1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-22-17-12-7-6-11-16(17)18(21)20(14-8-13-19)15-9-4-3-5-10-15/h3-7,9-12H,2,8,14H2,1H3
InChIKeyMUKXPAAQCVNGRA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.65
Rot. Bonds6

About N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide

N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide (PubChem CID 24694454) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
PubChem CID24694454
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
SMILESCCOc1ccccc1C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-22-17-12-7-6-11-16(17)18(21)20(14-8-13-19)15-9-4-3-5-10-15/h3-7,9-12H,2,8,14H2,1H3
InChIKeyMUKXPAAQCVNGRA-UHFFFAOYSA-N
XLogP3.65
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2353432
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
CID 38878091
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 56572502
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501289
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide (CID 24694454) is N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide is CCOc1ccccc1C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide?
The InChIKey is MUKXPAAQCVNGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-17-12-7-6-11-16(17)18(21)20(14-8-13-19)15-9-4-3-5-10-15/h3-7,9-12H,2,8,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide?
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide is sourced from PubChem (CID 24694454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).