2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide

C20H35N3O — CID 56542859

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C20H35N3O/c1-19(2,3)16-10-6-7-11-17(16)22-14-18(24)23-20(15-21)12-8-4-5-9-13-20/h16-17,22H,4-14H2,1-3H3,(H,23,24)
InChIKeyNQKOZOOXILUDNE-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.91
Rot. Bonds4

About 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide (PubChem CID 56542859) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide
PubChem CID56542859
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C20H35N3O/c1-19(2,3)16-10-6-7-11-17(16)22-14-18(24)23-20(15-21)12-8-4-5-9-13-20/h16-17,22H,4-14H2,1-3H3,(H,23,24)
InChIKeyNQKOZOOXILUDNE-UHFFFAOYSA-N
XLogP3.91
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
CID 95334331
2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 78878035
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide
CID 93282401
2-[(2-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214582
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide (CID 56542859) is 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide is CC(C)(C)C1CCCCC1NCC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide?
The InChIKey is NQKOZOOXILUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-19(2,3)16-10-6-7-11-17(16)22-14-18(24)23-20(15-21)12-8-4-5-9-13-20/h16-17,22H,4-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide has a molecular weight of 333.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide is sourced from PubChem (CID 56542859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).