N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide

C20H22N2O3 — CID 43034035

IUPACN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)C1CC=CCC1)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-17-10-5-2-6-11-17)15-22(14-18-12-7-13-25-18)20(24)16-8-3-1-4-9-16/h1-3,5-7,10-13,16H,4,8-9,14-15H2,(H,21,23)
InChIKeyHGSUQRGAFOMSDT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.60
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 43034035) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
PubChem CID43034035
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(CN(Cc1ccco1)C(=O)C1CC=CCC1)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-17-10-5-2-6-11-17)15-22(14-18-12-7-13-25-18)20(24)16-8-3-1-4-9-16/h1-3,5-7,10-13,16H,4,8-9,14-15H2,(H,21,23)
InChIKeyHGSUQRGAFOMSDT-UHFFFAOYSA-N
XLogP3.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3686733
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
CID 42920707
N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359
N-(2-anilino-2-oxoethyl)-5-bromo-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 18098352
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide (CID 43034035) is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide is O=C(CN(Cc1ccco1)C(=O)C1CC=CCC1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is HGSUQRGAFOMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-17-10-5-2-6-11-17)15-22(14-18-12-7-13-25-18)20(24)16-8-3-1-4-9-16/h1-3,5-7,10-13,16H,4,8-9,14-15H2,(H,21,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43034035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).