N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide

C15H21NO4 — CID 143282653

IUPACN-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide
SMILESCc1c(ONC=O)cccc1OC1CCC(CO)CC1
InChIInChI=1S/C15H21NO4/c1-11-14(3-2-4-15(11)20-16-10-18)19-13-7-5-12(9-17)6-8-13/h2-4,10,12-13,17H,5-9H2,1H3,(H,16,18)
InChIKeyYDVJLRWAGNEIJC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds6

About N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide

N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide (PubChem CID 143282653) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide
PubChem CID143282653
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide
SMILESCc1c(ONC=O)cccc1OC1CCC(CO)CC1
InChIInChI=1S/C15H21NO4/c1-11-14(3-2-4-15(11)20-16-10-18)19-13-7-5-12(9-17)6-8-13/h2-4,10,12-13,17H,5-9H2,1H3,(H,16,18)
InChIKeyYDVJLRWAGNEIJC-UHFFFAOYSA-N
XLogP1.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide (CID 143282653) is N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide is Cc1c(ONC=O)cccc1OC1CCC(CO)CC1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide?
The InChIKey is YDVJLRWAGNEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-14(3-2-4-15(11)20-16-10-18)19-13-7-5-12(9-17)6-8-13/h2-4,10,12-13,17H,5-9H2,1H3,(H,16,18).
What are the key properties of N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide?
N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide has a molecular weight of 279.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)cyclohexyl]oxy-2-methylphenoxy]formamide is sourced from PubChem (CID 143282653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).