3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide

C13H26N2O2 — CID 102636283

IUPAC3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyGOEBPNQSLIXNCY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide

3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide (PubChem CID 102636283) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
PubChem CID102636283
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyGOEBPNQSLIXNCY-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1R,2S)-2-hydroxycyclohexyl]-N-octylpropanediamide
CID 53238846
N-(2-Hydroxycyclohexyl)octanamide
CID 3748464
Acetamide, N-(2-hydroxycyclohexyl)-
CID 5251579
N-[(1S,2S)-2-Hydroxycyclohexyl]acetamide
CID 11105614
N-[(1R,2R)-2-Hydroxycyclohexyl]acetamide
CID 12343641
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137986908
N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 11252410
N-[(1S,2R)-2-Hydroxycyclohexyl]acetamide
CID 101601275
4,4,4-trifluoro-N-(2-hydroxycyclohexyl)butanamide
CID 65711173
4,4,4-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 104927169
4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 104957232
2-fluoro-N-(2-hydroxycyclohexyl)-2-methylpropanamide
CID 109928437

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide (CID 102636283) is 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(C)C1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is GOEBPNQSLIXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-13(17)8-9-15(3)11-6-4-5-7-12(11)16/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide?
3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102636283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).