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

C14H26N2O3 — CID 102636606

IUPAC2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)C1CCCCC1O
InChIInChI=1S/C14H26N2O3/c1-16(12-4-2-3-5-13(12)17)10-14(18)15-11-6-8-19-9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyQRDLPUOXFABNER-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.52
Rot. Bonds4

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

2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 102636606) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
PubChem CID102636606
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)C1CCCCC1O
InChIInChI=1S/C14H26N2O3/c1-16(12-4-2-3-5-13(12)17)10-14(18)15-11-6-8-19-9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyQRDLPUOXFABNER-UHFFFAOYSA-N
XLogP0.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636538
2-[(2-hydroxycyclohexyl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 102636285
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 102636474
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 102639901
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91785853
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
CID 60885872
4-[methyl-[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 63097843
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide (CID 102636606) is 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide is CN(CC(=O)NC1CCOCC1)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is QRDLPUOXFABNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(12-4-2-3-5-13(12)17)10-14(18)15-11-6-8-19-9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide?
2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 102636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).