N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide

C15H22N2O3 — CID 79120172

IUPACN-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCC(C(=O)NCc1ccco1)N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H22N2O3/c1-11(15(19)16-10-14-4-3-9-20-14)17(2)12-5-7-13(18)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyDJFVMNMGEGROJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide

N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide (PubChem CID 79120172) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
PubChem CID79120172
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCC(C(=O)NCc1ccco1)N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H22N2O3/c1-11(15(19)16-10-14-4-3-9-20-14)17(2)12-5-7-13(18)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyDJFVMNMGEGROJG-UHFFFAOYSA-N
XLogP1.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 60835401
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
2-[azetidin-3-yl(propyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 66214705
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide (CID 79120172) is N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide is CC(C(=O)NCc1ccco1)N(C)C1CCC(=O)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The InChIKey is DJFVMNMGEGROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(19)16-10-14-4-3-9-20-14)17(2)12-5-7-13(18)8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide is sourced from PubChem (CID 79120172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).