2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

C18H23N3O3 — CID 8841518

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H23N3O3/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyXIRFTJATLREKQR-GOSISDBHSA-N
MW329.40 g/mol
LogP2.93
Rot. Bonds8

About 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 8841518) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID8841518
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H23N3O3/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyXIRFTJATLREKQR-GOSISDBHSA-N
XLogP2.93
TPSA82.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 78752041
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
N-(2-cyano-3-methylbutan-2-yl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 51199992
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]acetamide
CID 55412851
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51728153
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (CID 8841518) is 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is XIRFTJATLREKQR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(2)18(3,13-19)20-17(22)12-21(10-15-6-4-8-23-15)11-16-7-5-9-24-16/h4-9,14H,10-12H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 8841518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).