(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate

C25H27NO3 — CID 21125417

IUPAC(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1cccc(Oc2ccccc2)c1)C(C)c1ccccc1
InChIInChI=1S/C25H27NO3/c1-19(2)26(20(3)22-12-6-4-7-13-22)25(27)28-18-21-11-10-16-24(17-21)29-23-14-8-5-9-15-23/h4-17,19-20H,18H2,1-3H3
InChIKeyQOUYPOZNLGFNAO-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.59
Rot. Bonds7

About (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate

(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate (PubChem CID 21125417) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
PubChem CID21125417
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1cccc(Oc2ccccc2)c1)C(C)c1ccccc1
InChIInChI=1S/C25H27NO3/c1-19(2)26(20(3)22-12-6-4-7-13-22)25(27)28-18-21-11-10-16-24(17-21)29-23-14-8-5-9-15-23/h4-17,19-20H,18H2,1-3H3
InChIKeyQOUYPOZNLGFNAO-UHFFFAOYSA-N
XLogP6.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate?
The IUPAC name of (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate (CID 21125417) is (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate?
The canonical SMILES for (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate is CC(C)N(C(=O)OCc1cccc(Oc2ccccc2)c1)C(C)c1ccccc1.
What is the InChIKey of (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate?
The InChIKey is QOUYPOZNLGFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19(2)26(20(3)22-12-6-4-7-13-22)25(27)28-18-21-11-10-16-24(17-21)29-23-14-8-5-9-15-23/h4-17,19-20H,18H2,1-3H3.
What are the key properties of (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate?
(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate has a molecular weight of 389.50 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 21125417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).