2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide

C13H26N2O2 — CID 106133696

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-15-13(17)9-14-8-11-3-5-12(16)6-4-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyYPEVOCOGBJSKIM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.90
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide

2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 106133696) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID106133696
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-15-13(17)9-14-8-11-3-5-12(16)6-4-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyYPEVOCOGBJSKIM-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433
2-(cyclopropylmethylamino)-N-(2,2,4-trimethylpentyl)acetamide
CID 119820261
N-(cyclopropylmethyl)-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65035969
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 103277041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide (CID 106133696) is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is YPEVOCOGBJSKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)7-15-13(17)9-14-8-11-3-5-12(16)6-4-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).