N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

C13H26N2O2 — CID 71989600

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15(3)9-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyUZOOQPZIMGMDOF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 71989600) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID71989600
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15(3)9-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyUZOOQPZIMGMDOF-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 71989600) is N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is UZOOQPZIMGMDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15(3)9-12(16)14-10-13(17)7-5-4-6-8-13/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide 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 N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 71989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).