N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C22H31N3O — CID 36932366

IUPACN-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1
InChIInChI=1S/C22H31N3O/c1-17(2)19-8-6-18(7-9-19)14-25(20-10-11-20)15-21(26)24-22(16-23)12-4-3-5-13-22/h6-9,17,20H,3-5,10-15H2,1-2H3,(H,24,26)
InChIKeyIMHRGAIWCUBGDZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.12
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 36932366) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID36932366
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1
InChIInChI=1S/C22H31N3O/c1-17(2)19-8-6-18(7-9-19)14-25(20-10-11-20)15-21(26)24-22(16-23)12-4-3-5-13-22/h6-9,17,20H,3-5,10-15H2,1-2H3,(H,24,26)
InChIKeyIMHRGAIWCUBGDZ-UHFFFAOYSA-N
XLogP4.12
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18083556
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
N-(1-cyanocyclopentyl)-2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetamide
CID 47056936
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154510
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8916279
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 36932366) is N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(C)c1ccc(CN(CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is IMHRGAIWCUBGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17(2)19-8-6-18(7-9-19)14-25(20-10-11-20)15-21(26)24-22(16-23)12-4-3-5-13-22/h6-9,17,20H,3-5,10-15H2,1-2H3,(H,24,26).
What are the key properties of N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 353.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 36932366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).