N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C23H29N3O4 — CID 3686733

IUPACN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)C2CCCCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17-7-5-10-19(13-17)25-21(27)14-24-22(28)16-26(15-20-11-6-12-30-20)23(29)18-8-3-2-4-9-18/h5-7,10-13,18H,2-4,8-9,14-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyJOSOFXZLERKBQC-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.25
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 3686733) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID3686733
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)C2CCCCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17-7-5-10-19(13-17)25-21(27)14-24-22(28)16-26(15-20-11-6-12-30-20)23(29)18-8-3-2-4-9-18/h5-7,10-13,18H,2-4,8-9,14-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyJOSOFXZLERKBQC-UHFFFAOYSA-N
XLogP3.25
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
N-(furan-2-ylmethyl)-3-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 3887982
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3544918
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 43034035
N-(furan-2-ylmethyl)-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 1124594
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 4276041
(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
CID 5013111
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 3686733) is N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)C2CCCCC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is JOSOFXZLERKBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17-7-5-10-19(13-17)25-21(27)14-24-22(28)16-26(15-20-11-6-12-30-20)23(29)18-8-3-2-4-9-18/h5-7,10-13,18H,2-4,8-9,14-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3686733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).