4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide

C16H23NO3 — CID 64866990

IUPAC4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-14-8-6-13(7-9-14)15(18)17-12-16(19)10-4-3-5-11-16/h6-9,19H,2-5,10-12H2,1H3,(H,17,18)
InChIKeyXYJASFVMTJVDDN-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds5

About 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide

4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 64866990) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID64866990
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-14-8-6-13(7-9-14)15(18)17-12-16(19)10-4-3-5-11-16/h6-9,19H,2-5,10-12H2,1H3,(H,17,18)
InChIKeyXYJASFVMTJVDDN-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylsulfinylbenzamide
CID 111539894
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 64866990) is 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide is CCOc1ccc(C(=O)NCC2(O)CCCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is XYJASFVMTJVDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-14-8-6-13(7-9-14)15(18)17-12-16(19)10-4-3-5-11-16/h6-9,19H,2-5,10-12H2,1H3,(H,17,18).
What are the key properties of 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide?
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 64866990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).