N-cyano-2-(4-methoxyphenoxy)propanamide

C11H12N2O3 — CID 79194149

IUPACN-cyano-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC#N)cc1
InChIInChI=1S/C11H12N2O3/c1-8(11(14)13-7-12)16-10-5-3-9(15-2)4-6-10/h3-6,8H,1-2H3,(H,13,14)
InChIKeyPQHUZJKSIOMBPI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.06
Rot. Bonds4

About N-cyano-2-(4-methoxyphenoxy)propanamide

N-cyano-2-(4-methoxyphenoxy)propanamide (PubChem CID 79194149) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-cyano-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-cyano-2-(4-methoxyphenoxy)propanamide
PubChem CID79194149
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-cyano-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC#N)cc1
InChIInChI=1S/C11H12N2O3/c1-8(11(14)13-7-12)16-10-5-3-9(15-2)4-6-10/h3-6,8H,1-2H3,(H,13,14)
InChIKeyPQHUZJKSIOMBPI-UHFFFAOYSA-N
XLogP1.06
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-cyanopropanamide
CID 164935402
N-cyano-2-(4-fluorophenoxy)propanamide
CID 79193914
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
CID 115409892
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-cyano-2-(4-methoxyphenoxy)propanamide (CID 79194149) is N-cyano-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-cyano-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-cyano-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC#N)cc1.
What is the InChIKey of N-cyano-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PQHUZJKSIOMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(11(14)13-7-12)16-10-5-3-9(15-2)4-6-10/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of N-cyano-2-(4-methoxyphenoxy)propanamide?
N-cyano-2-(4-methoxyphenoxy)propanamide has a molecular weight of 220.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 79194149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).