N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide

C23H26N2O3 — CID 4923184

IUPACN-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-28-21-14-8-5-9-17(21)15-16-22(26)25-20-13-7-6-12-19(20)23(27)24-18-10-3-2-4-11-18/h5-9,12-16,18H,2-4,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyYJGNFXYYZDXOPH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.41
Rot. Bonds6

About N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide

N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide (PubChem CID 4923184) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
PubChem CID4923184
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
SMILESCOc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-28-21-14-8-5-9-17(21)15-16-22(26)25-20-13-7-6-12-19(20)23(27)24-18-10-3-2-4-11-18/h5-9,12-16,18H,2-4,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyYJGNFXYYZDXOPH-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235
N-(2,3-dimethylphenyl)-2-[[(Z)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 9321403
2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide
CID 4935071
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
CID 927016
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-N-methylbenzamide
CID 4939107
2-[3-(2-methoxyphenyl)prop-2-enoylcarbamothioylamino]-N-propan-2-ylbenzamide
CID 4945609
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide (CID 4923184) is N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide is COc1ccccc1C=CC(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide?
The InChIKey is YJGNFXYYZDXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-21-14-8-5-9-17(21)15-16-22(26)25-20-13-7-6-12-19(20)23(27)24-18-10-3-2-4-11-18/h5-9,12-16,18H,2-4,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide?
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide has a molecular weight of 378.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 4923184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).