(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide

C18H17NO3 — CID 22301699

IUPAC(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C18H17NO3/c1-12-3-4-14(13(2)9-12)5-8-18(20)19-15-6-7-16-17(10-15)22-11-21-16/h3-10H,11H2,1-2H3,(H,19,20)/b8-5-
InChIKeyIUEHZBNNNDWSIJ-YVMONPNESA-N
MW295.34 g/mol
LogP3.68
Rot. Bonds3

About (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide

(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 22301699) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID22301699
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C18H17NO3/c1-12-3-4-14(13(2)9-12)5-8-18(20)19-15-6-7-16-17(10-15)22-11-21-16/h3-10H,11H2,1-2H3,(H,19,20)/b8-5-
InChIKeyIUEHZBNNNDWSIJ-YVMONPNESA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
(E)-N-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-ethoxyphenyl)prop-2-enamide
CID 162748292
(E)-N-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 692455
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
CID 86973808
3-(1,3-benzodioxol-5-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]prop-2-enamide
CID 5093888
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 4224887
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458641
(E)-N-(1,3-benzodioxol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31223315
(E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-methylphenyl)prop-2-enamide
CID 26712317
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide (CID 22301699) is (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide is Cc1ccc(/C=C\C(=O)Nc2ccc3c(c2)OCO3)c(C)c1.
What is the InChIKey of (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is IUEHZBNNNDWSIJ-YVMONPNESA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-3-4-14(13(2)9-12)5-8-18(20)19-15-6-7-16-17(10-15)22-11-21-16/h3-10H,11H2,1-2H3,(H,19,20)/b8-5-.
What are the key properties of (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide?
(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 22301699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).