4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide

C22H23N3O — CID 155265790

IUPAC4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(CN[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H23N3O/c23-14-16-7-9-18(10-8-16)21(26)25-22(11-4-12-22)15-24-20-13-19(20)17-5-2-1-3-6-17/h1-3,5-10,19-20,24H,4,11-13,15H2,(H,25,26)/t19-,20+/m1/s1
InChIKeyAYUUTZKLRHUWCR-UXHICEINSA-N
MW345.45 g/mol
LogP3.36
Rot. Bonds6

About 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide

4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide (PubChem CID 155265790) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide
PubChem CID155265790
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(CN[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1
InChIInChI=1S/C22H23N3O/c23-14-16-7-9-18(10-8-16)21(26)25-22(11-4-12-22)15-24-20-13-19(20)17-5-2-1-3-6-17/h1-3,5-10,19-20,24H,4,11-13,15H2,(H,25,26)/t19-,20+/m1/s1
InChIKeyAYUUTZKLRHUWCR-UXHICEINSA-N
XLogP3.36
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide with MolForge

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Related Compounds

N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 118305141
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 146311217
4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 155266060
(3S,4S)-1-(4-cyanobenzoyl)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 167357027
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
1-[[4-[3-(4-cyano-2-fluorophenyl)propyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 118319871
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
3-[4-[(2-cyanophenoxy)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118302952
3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzonitrile
CID 118290227
3-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]benzonitrile
CID 114480146

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide?
The IUPAC name of 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide (CID 155265790) is 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide is N#Cc1ccc(C(=O)NC2(CN[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1.
What is the InChIKey of 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide?
The InChIKey is AYUUTZKLRHUWCR-UXHICEINSA-N. The full InChI is InChI=1S/C22H23N3O/c23-14-16-7-9-18(10-8-16)21(26)25-22(11-4-12-22)15-24-20-13-19(20)17-5-2-1-3-6-17/h1-3,5-10,19-20,24H,4,11-13,15H2,(H,25,26)/t19-,20+/m1/s1.
What are the key properties of 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide?
4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide is sourced from PubChem (CID 155265790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).