N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide

C18H25N3O2 — CID 94417458

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
SMILESC[C@@](C#N)(NC(=O)CN(Cc1ccco1)C1CCCC1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-18(13-19,14-8-9-14)20-17(22)12-21(15-5-2-3-6-15)11-16-7-4-10-23-16/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyJMSHGLCGTSMPMF-SFHVURJKSA-N
MW315.42 g/mol
LogP2.83
Rot. Bonds7

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide (PubChem CID 94417458) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
PubChem CID94417458
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
SMILESC[C@@](C#N)(NC(=O)CN(Cc1ccco1)C1CCCC1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-18(13-19,14-8-9-14)20-17(22)12-21(15-5-2-3-6-15)11-16-7-4-10-23-16/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyJMSHGLCGTSMPMF-SFHVURJKSA-N
XLogP2.83
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide with MolForge

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Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 129421681
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 8841518
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732249
N-(1-cyano-1-cyclopropylethyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51300399
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055487
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide (CID 94417458) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide is C[C@@](C#N)(NC(=O)CN(Cc1ccco1)C1CCCC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
The InChIKey is JMSHGLCGTSMPMF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(13-19,14-8-9-14)20-17(22)12-21(15-5-2-3-6-15)11-16-7-4-10-23-16/h4,7,10,14-15H,2-3,5-6,8-9,11-12H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 94417458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).