N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide

C22H28N2O5 — CID 4900419

IUPACN-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCN1CCOCC1
InChIInChI=1S/C22H28N2O5/c25-21(23-8-3-9-24-10-12-27-13-11-24)15-28-16-6-7-18-17-4-1-2-5-19(17)22(26)29-20(18)14-16/h6-7,14H,1-5,8-13,15H2,(H,23,25)
InChIKeyORUDXARCYNWVMM-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.89
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide

N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide (PubChem CID 4900419) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
PubChem CID4900419
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCN1CCOCC1
InChIInChI=1S/C22H28N2O5/c25-21(23-8-3-9-24-10-12-27-13-11-24)15-28-16-6-7-18-17-4-1-2-5-19(17)22(26)29-20(18)14-16/h6-7,14H,1-5,8-13,15H2,(H,23,25)
InChIKeyORUDXARCYNWVMM-UHFFFAOYSA-N
XLogP1.89
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide (CID 4900419) is N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide is O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The InChIKey is ORUDXARCYNWVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c25-21(23-8-3-9-24-10-12-27-13-11-24)15-28-16-6-7-18-17-4-1-2-5-19(17)22(26)29-20(18)14-16/h6-7,14H,1-5,8-13,15H2,(H,23,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide is sourced from PubChem (CID 4900419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).