2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

C14H28N2O2 — CID 106133186

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)11(3)16-14(18)9-15-8-12-4-6-13(17)7-5-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyXHUPTUSHFGZTPH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 106133186) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID106133186
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)11(3)16-14(18)9-15-8-12-4-6-13(17)7-5-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyXHUPTUSHFGZTPH-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489134
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide
CID 54961583
2-(cyclopropylmethylamino)-N-(1-hydroxypropan-2-yl)acetamide
CID 60841587
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
2-[(3-hydroxycyclobutyl)methylamino]-N-propan-2-ylacetamide
CID 66005704
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
CID 119778156

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (CID 106133186) is 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is XHUPTUSHFGZTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)11(3)16-14(18)9-15-8-12-4-6-13(17)7-5-12/h10-13,15,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.29, 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 106133186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).