N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide

C18H18N2O2 — CID 43824378

IUPACN-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
SMILESCC(OCCC(=O)Nc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-14(16-7-3-2-4-8-16)22-11-10-18(21)20-17-9-5-6-15(12-17)13-19/h2-9,12,14H,10-11H2,1H3,(H,20,21)
InChIKeyMDRQIPXQDYSVCP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.66
Rot. Bonds6

About N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide

N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide (PubChem CID 43824378) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
PubChem CID43824378
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
SMILESCC(OCCC(=O)Nc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-14(16-7-3-2-4-8-16)22-11-10-18(21)20-17-9-5-6-15(12-17)13-19/h2-9,12,14H,10-11H2,1H3,(H,20,21)
InChIKeyMDRQIPXQDYSVCP-UHFFFAOYSA-N
XLogP3.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
[2-(3-cyanoanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772994
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide
CID 95287367
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806663
3-[(3-cyanophenyl)carbamoyl-(1-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 42698753
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 103706215
N-(3-cyanophenyl)-3-(4-iodophenoxy)propanamide
CID 43327324

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide (CID 43824378) is N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide is CC(OCCC(=O)Nc1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide?
The InChIKey is MDRQIPXQDYSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(16-7-3-2-4-8-16)22-11-10-18(21)20-17-9-5-6-15(12-17)13-19/h2-9,12,14H,10-11H2,1H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide?
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide is sourced from PubChem (CID 43824378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).