[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate

C24H24N2O4 — CID 175446045

IUPAC[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate
SMILESCN(C(=O)c1ccccc1)c1cccc(OC(CCOC(N)=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-26(23(27)19-11-6-3-7-12-19)20-13-8-14-21(17-20)30-22(15-16-29-24(25)28)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H2,25,28)
InChIKeyICGWSZPWZARINI-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.57
Rot. Bonds8

About [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate

[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate (PubChem CID 175446045) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate
PubChem CID175446045
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate
SMILESCN(C(=O)c1ccccc1)c1cccc(OC(CCOC(N)=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-26(23(27)19-11-6-3-7-12-19)20-13-8-14-21(17-20)30-22(15-16-29-24(25)28)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H2,25,28)
InChIKeyICGWSZPWZARINI-UHFFFAOYSA-N
XLogP4.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate?
The IUPAC name of [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate (CID 175446045) is [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate.
What is the SMILES notation for [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate?
The canonical SMILES for [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate is CN(C(=O)c1ccccc1)c1cccc(OC(CCOC(N)=O)c2ccccc2)c1.
What is the InChIKey of [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate?
The InChIKey is ICGWSZPWZARINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-26(23(27)19-11-6-3-7-12-19)20-13-8-14-21(17-20)30-22(15-16-29-24(25)28)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H2,25,28).
What are the key properties of [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate?
[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl] carbamate is sourced from PubChem (CID 175446045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).