2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide

C17H34N2O — CID 78878035

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20)
InChIKeyHTJHOQHTKNZWFH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.34
Rot. Bonds5

About 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 78878035) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID78878035
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20)
InChIKeyHTJHOQHTKNZWFH-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034
2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961790
methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
CID 95334331
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide
CID 93282401
2-[(2-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214582
N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
2-[(2-tert-butylcyclohexyl)amino]-N-(1-cyanocycloheptyl)acetamide
CID 56542859
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 124864731
2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 124864732
2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
CID 56570257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 78878035) is 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HTJHOQHTKNZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 282.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78878035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).