N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide

C20H27N3O2 — CID 129421681

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)o1
InChIInChI=1S/C20H27N3O2/c1-13-9-17(13)18-8-7-16(25-18)10-23(15-5-6-15)11-19(24)22-20(2,12-21)14-3-4-14/h7-8,13-15,17H,3-6,9-11H2,1-2H3,(H,22,24)/t13-,17+,20-/m1/s1
InChIKeyZWUPXVBEWYSVCT-ASUYLVSUSA-N
MW341.46 g/mol
LogP3.18
Rot. Bonds8

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide (PubChem CID 129421681) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
PubChem CID129421681
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)o1
InChIInChI=1S/C20H27N3O2/c1-13-9-17(13)18-8-7-16(25-18)10-23(15-5-6-15)11-19(24)22-20(2,12-21)14-3-4-14/h7-8,13-15,17H,3-6,9-11H2,1-2H3,(H,22,24)/t13-,17+,20-/m1/s1
InChIKeyZWUPXVBEWYSVCT-ASUYLVSUSA-N
XLogP3.18
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide with MolForge

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetamide
CID 47030294
2-[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 55682514
2-[cyclopropyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37380628
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 97091734
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 52502100
N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 98750432
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51728153
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 8004820

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide (CID 129421681) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide is C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)o1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The InChIKey is ZWUPXVBEWYSVCT-ASUYLVSUSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-9-17(13)18-8-7-16(25-18)10-23(15-5-6-15)11-19(24)22-20(2,12-21)14-3-4-14/h7-8,13-15,17H,3-6,9-11H2,1-2H3,(H,22,24)/t13-,17+,20-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 129421681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).