2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

C13H26N2O2 — CID 103860522

IUPAC2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(C)(C)NCC(=O)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(17)15-11-7-5-4-6-10(11)9-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyWVCVAQGVAZPTOY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds4

About 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 103860522) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID103860522
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(C)(C)NCC(=O)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(17)15-11-7-5-4-6-10(11)9-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyWVCVAQGVAZPTOY-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235341
N-[2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235338
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
2-amino-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]acetamide
CID 114178743
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
N-[2-(hydroxymethyl)cyclopentyl]-2-(prop-2-ynylamino)acetamide
CID 106361263
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-amino-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]acetamide
CID 104872494

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 103860522) is 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is CC(C)(C)NCC(=O)NC1CCCCC1CO.
What is the InChIKey of 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is WVCVAQGVAZPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(17)15-11-7-5-4-6-10(11)9-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 103860522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).