N-(3-cyanophenyl)-2-ethoxypropanamide

C12H14N2O2 — CID 43187565

IUPACN-(3-cyanophenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-3-16-9(2)12(15)14-11-6-4-5-10(7-11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15)
InChIKeyRDOCUKVDYHKYGP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.92
Rot. Bonds4

About N-(3-cyanophenyl)-2-ethoxypropanamide

N-(3-cyanophenyl)-2-ethoxypropanamide (PubChem CID 43187565) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-ethoxypropanamide
PubChem CID43187565
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(3-cyanophenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H14N2O2/c1-3-16-9(2)12(15)14-11-6-4-5-10(7-11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15)
InChIKeyRDOCUKVDYHKYGP-UHFFFAOYSA-N
XLogP1.92
TPSA62.12 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775585
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
[1-(3-cyanoanilino)-1-oxopropan-2-yl] benzoate
CID 18777205
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-ethoxypropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-ethoxypropanamide (CID 43187565) is N-(3-cyanophenyl)-2-ethoxypropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-ethoxypropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-ethoxypropanamide is CCOC(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-ethoxypropanamide?
The InChIKey is RDOCUKVDYHKYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-16-9(2)12(15)14-11-6-4-5-10(7-11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(3-cyanophenyl)-2-ethoxypropanamide?
N-(3-cyanophenyl)-2-ethoxypropanamide has a molecular weight of 218.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-ethoxypropanamide is sourced from PubChem (CID 43187565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).