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

C13H16N2O4 — CID 21469465

IUPAC3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CCC#N)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-17-9-7-10(18-2)13(11(8-9)19-3)15-12(16)5-4-6-14/h7-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyDKKXEPDDBUKSCI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.95
Rot. Bonds6

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

3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 21469465) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID21469465
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CCC#N)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-17-9-7-10(18-2)13(11(8-9)19-3)15-12(16)5-4-6-14/h7-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyDKKXEPDDBUKSCI-UHFFFAOYSA-N
XLogP1.95
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 110778529
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
N-(5-chloro-2-methoxy-4-methylphenyl)-3-cyanopropanamide
CID 115173505
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
CID 115173483
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
CID 115173478
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide (CID 21469465) is 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)CCC#N)c(OC)c1.
What is the InChIKey of 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is DKKXEPDDBUKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-17-9-7-10(18-2)13(11(8-9)19-3)15-12(16)5-4-6-14/h7-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide?
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 264.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 21469465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).