3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

C19H20N2O4 — CID 86748282

IUPAC3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CC(C#N)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-23-15-10-16(24-2)19(17(11-15)25-3)21-18(22)9-14(12-20)13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3,(H,21,22)
InChIKeyDYCZWTSRIUUWFI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.35
Rot. Bonds7

About 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 86748282) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID86748282
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CC(C#N)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-23-15-10-16(24-2)19(17(11-15)25-3)21-18(22)9-14(12-20)13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3,(H,21,22)
InChIKeyDYCZWTSRIUUWFI-UHFFFAOYSA-N
XLogP3.35
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
CID 112511360
3-cyano-3-(2,5-dimethoxyphenyl)propanoic acid
CID 82129347
3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
CID 82134145
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10546372
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
(3S)-3-cyano-3-(4-methoxyphenyl)propanoate
CID 7350517
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57247164

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (CID 86748282) is 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)CC(C#N)c2ccccc2)c(OC)c1.
What is the InChIKey of 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is DYCZWTSRIUUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-10-16(24-2)19(17(11-15)25-3)21-18(22)9-14(12-20)13-7-5-4-6-8-13/h4-8,10-11,14H,9H2,1-3H3,(H,21,22).
What are the key properties of 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 86748282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).