[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid

C14H26N2O5 — CID 22280859

IUPAC[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(CCCO)C(=O)COC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O5/c1-15(8-3-9-17)13(18)10-21-12-6-4-11(5-7-12)16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyOCEYCLSWXRUHGK-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.76
Rot. Bonds7

About [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid

[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid (PubChem CID 22280859) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid
PubChem CID22280859
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid
SMILESCN(CCCO)C(=O)COC1CCC(N(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O5/c1-15(8-3-9-17)13(18)10-21-12-6-4-11(5-7-12)16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyOCEYCLSWXRUHGK-UHFFFAOYSA-N
XLogP0.76
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid (CID 22280859) is [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid is CN(CCCO)C(=O)COC1CCC(N(C)C(=O)O)CC1.
What is the InChIKey of [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid?
The InChIKey is OCEYCLSWXRUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-15(8-3-9-17)13(18)10-21-12-6-4-11(5-7-12)16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20).
What are the key properties of [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid?
[4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid has a molecular weight of 302.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22280859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).