[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate

C24H28N2O5 — CID 10575968

IUPAC[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)ccoc3c2)c1
InChIInChI=1S/C24H28N2O5/c1-3-11-25-24(28)31-20-7-4-6-18(15-20)17-26(2)12-5-13-29-19-8-9-21-22(27)10-14-30-23(21)16-19/h4,6-10,14-16H,3,5,11-13,17H2,1-2H3,(H,25,28)
InChIKeyFUFMCGMUAVSMEF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.19
Rot. Bonds10

About [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate

[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate (PubChem CID 10575968) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate
PubChem CID10575968
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)ccoc3c2)c1
InChIInChI=1S/C24H28N2O5/c1-3-11-25-24(28)31-20-7-4-6-18(15-20)17-26(2)12-5-13-29-19-8-9-21-22(27)10-14-30-23(21)16-19/h4,6-10,14-16H,3,5,11-13,17H2,1-2H3,(H,25,28)
InChIKeyFUFMCGMUAVSMEF-UHFFFAOYSA-N
XLogP4.19
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-{[methyl({5-[(9-oxo-9H-xanthen-3-yl)oxy]pentyl})amino]methyl}phenyl N-methylcarbamate
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3-{[methyl(7-{[(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}heptyl)amino]methyl}phenyl methylcarbamate
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3-{[methyl({5-[(9-oxo-9H-xanthen-3-yl)oxy]pentyl})amino]methyl}phenyl N-heptylcarbamate hydrochloride
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3-{[methyl({4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl})amino]methyl}phenyl N-methylcarbamate hydrochloride
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3-{[methyl({4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl})amino]methyl}phenyl N-heptylcarbamate hydrochloride
CID 10840993
3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-phenylcarbamate hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate?
The IUPAC name of [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate (CID 10575968) is [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate.
What is the SMILES notation for [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate?
The canonical SMILES for [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate is CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)ccoc3c2)c1.
What is the InChIKey of [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate?
The InChIKey is FUFMCGMUAVSMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-11-25-24(28)31-20-7-4-6-18(15-20)17-26(2)12-5-13-29-19-8-9-21-22(27)10-14-30-23(21)16-19/h4,6-10,14-16H,3,5,11-13,17H2,1-2H3,(H,25,28).
What are the key properties of [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate?
[3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate has a molecular weight of 424.50 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[3-(4-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-propylcarbamate is sourced from PubChem (CID 10575968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).