2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide

C19H18N2O2 — CID 75800081

IUPAC2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H18N2O2/c20-12-14-5-4-8-17(11-14)23-13-18(22)21-19(16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,19H,9-10,13H2,(H,21,22)
InChIKeyJQOUOPFLDJAKIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide

2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide (PubChem CID 75800081) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
PubChem CID75800081
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H18N2O2/c20-12-14-5-4-8-17(11-14)23-13-18(22)21-19(16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,19H,9-10,13H2,(H,21,22)
InChIKeyJQOUOPFLDJAKIR-UHFFFAOYSA-N
XLogP3.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
2-(4-cyano-2-ethoxyphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 51279492
2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(2-cyanophenoxy)acetamide
CID 51187215

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide (CID 75800081) is 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide is N#Cc1cccc(OCC(=O)NC(c2ccccc2)C2CC2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide?
The InChIKey is JQOUOPFLDJAKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-12-14-5-4-8-17(11-14)23-13-18(22)21-19(16-9-10-16)15-6-2-1-3-7-15/h1-8,11,16,19H,9-10,13H2,(H,21,22).
What are the key properties of 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide?
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide is sourced from PubChem (CID 75800081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).