[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate

C19H24N2O3 — CID 10860441

IUPAC[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(CN(C)CCCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-20-19(22)24-18-11-6-8-16(14-18)15-21(2)12-7-13-23-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyWHEABQVTGKWYIA-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.31
Rot. Bonds8

About [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate

[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate (PubChem CID 10860441) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate
PubChem CID10860441
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(CN(C)CCCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-20-19(22)24-18-11-6-8-16(14-18)15-21(2)12-7-13-23-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyWHEABQVTGKWYIA-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The IUPAC name of [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate (CID 10860441) is [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The canonical SMILES for [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate is CNC(=O)Oc1cccc(CN(C)CCCOc2ccccc2)c1.
What is the InChIKey of [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The InChIKey is WHEABQVTGKWYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-19(22)24-18-11-6-8-16(14-18)15-21(2)12-7-13-23-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22).
What are the key properties of [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate?
[3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate has a molecular weight of 328.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(3-phenoxypropyl)amino]methyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 10860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).