(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide

C14H16N2O2 — CID 29424540

IUPAC(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b12-9+
InChIKeyVVHQPEGVNUNSBV-FMIVXFBMSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds5

About (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide

(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 29424540) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID29424540
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b12-9+
InChIKeyVVHQPEGVNUNSBV-FMIVXFBMSA-N
XLogP2.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]carbamate
CID 102425102
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 47436222
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(E)-2-cyano-N-(4-propan-2-yloxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 19177133
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
(4-propan-2-ylphenyl) 2-cyano-3-(4-propoxyphenyl)prop-2-enoate
CID 2792690
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181
(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 19175266
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
(E)-N-(4-bromo-2-chlorophenyl)-2-cyano-3-(4-propoxyphenyl)prop-2-enamide
CID 53267474
2-cyano-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2792674

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide (CID 29424540) is (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1.
What is the InChIKey of (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is VVHQPEGVNUNSBV-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(17)16-2/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b12-9+.
What are the key properties of (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 29424540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).