N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide

C24H26N2O3 — CID 58468156

IUPACN-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc3c(OCc4ccccc4)nccc3c2)CC1
InChIInChI=1S/C24H26N2O3/c1-17(27)26-20-7-9-21(10-8-20)29-22-11-12-23-19(15-22)13-14-25-24(23)28-16-18-5-3-2-4-6-18/h2-6,11-15,20-21H,7-10,16H2,1H3,(H,26,27)
InChIKeyFDBPMKNHMSMDKS-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.64
Rot. Bonds6

About N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide

N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide (PubChem CID 58468156) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide
PubChem CID58468156
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc3c(OCc4ccccc4)nccc3c2)CC1
InChIInChI=1S/C24H26N2O3/c1-17(27)26-20-7-9-21(10-8-20)29-22-11-12-23-19(15-22)13-14-25-24(23)28-16-18-5-3-2-4-6-18/h2-6,11-15,20-21H,7-10,16H2,1H3,(H,26,27)
InChIKeyFDBPMKNHMSMDKS-UHFFFAOYSA-N
XLogP4.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide?
The IUPAC name of N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide (CID 58468156) is N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide?
The canonical SMILES for N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide is CC(=O)NC1CCC(Oc2ccc3c(OCc4ccccc4)nccc3c2)CC1.
What is the InChIKey of N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide?
The InChIKey is FDBPMKNHMSMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(27)26-20-7-9-21(10-8-20)29-22-11-12-23-19(15-22)13-14-25-24(23)28-16-18-5-3-2-4-6-18/h2-6,11-15,20-21H,7-10,16H2,1H3,(H,26,27).
What are the key properties of N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide?
N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylmethoxyisoquinolin-6-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 58468156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).