2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide

C23H24N2O4 — CID 1286179

IUPAC2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
SMILESO=C(C=Cc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H24N2O4/c26-22(13-11-16-10-12-20-21(14-16)29-15-28-20)25-19-9-5-4-8-18(19)23(27)24-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7,15H2,(H,24,27)(H,25,26)
InChIKeyBZKNXPWTAOOTSX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.13
Rot. Bonds5

About 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide

2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide (PubChem CID 1286179) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
PubChem CID1286179
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
SMILESO=C(C=Cc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H24N2O4/c26-22(13-11-16-10-12-20-21(14-16)29-15-28-20)25-19-9-5-4-8-18(19)23(27)24-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7,15H2,(H,24,27)(H,25,26)
InChIKeyBZKNXPWTAOOTSX-UHFFFAOYSA-N
XLogP4.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]benzamide
CID 75616751
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702
2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 1293525
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-(2-methylpropyl)benzamide
CID 3876341
3-(1,3-benzodioxol-5-yl)-N-(cycloheptylcarbamothioyl)prop-2-enamide
CID 732203
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)prop-2-enamide
CID 875310
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 8700153
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 35275643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide (CID 1286179) is 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide is O=C(C=Cc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide?
The InChIKey is BZKNXPWTAOOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(13-11-16-10-12-20-21(14-16)29-15-28-20)25-19-9-5-4-8-18(19)23(27)24-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7,15H2,(H,24,27)(H,25,26).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide?
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 1286179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).