phenyl N-(3-methyl-4-phenoxyphenyl)carbamate

C20H17NO3 — CID 139442804

IUPACphenyl N-(3-methyl-4-phenoxyphenyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C20H17NO3/c1-15-14-16(21-20(22)24-18-10-6-3-7-11-18)12-13-19(15)23-17-8-4-2-5-9-17/h2-14H,1H3,(H,21,22)
InChIKeyCIIGREFBLHJCOY-UHFFFAOYSA-N
MW319.36 g/mol
LogP5.40
Rot. Bonds4

About phenyl N-(3-methyl-4-phenoxyphenyl)carbamate

phenyl N-(3-methyl-4-phenoxyphenyl)carbamate (PubChem CID 139442804) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is phenyl N-(3-methyl-4-phenoxyphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-methyl-4-phenoxyphenyl)carbamate
PubChem CID139442804
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namephenyl N-(3-methyl-4-phenoxyphenyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C20H17NO3/c1-15-14-16(21-20(22)24-18-10-6-3-7-11-18)12-13-19(15)23-17-8-4-2-5-9-17/h2-14H,1H3,(H,21,22)
InChIKeyCIIGREFBLHJCOY-UHFFFAOYSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
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phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
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CID 12877201
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
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[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
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phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
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(4-acetamidophenyl) N-phenylcarbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-methyl-4-phenoxyphenyl)carbamate?
The IUPAC name of phenyl N-(3-methyl-4-phenoxyphenyl)carbamate (CID 139442804) is phenyl N-(3-methyl-4-phenoxyphenyl)carbamate.
What is the SMILES notation for phenyl N-(3-methyl-4-phenoxyphenyl)carbamate?
The canonical SMILES for phenyl N-(3-methyl-4-phenoxyphenyl)carbamate is Cc1cc(NC(=O)Oc2ccccc2)ccc1Oc1ccccc1.
What is the InChIKey of phenyl N-(3-methyl-4-phenoxyphenyl)carbamate?
The InChIKey is CIIGREFBLHJCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-15-14-16(21-20(22)24-18-10-6-3-7-11-18)12-13-19(15)23-17-8-4-2-5-9-17/h2-14H,1H3,(H,21,22).
What are the key properties of phenyl N-(3-methyl-4-phenoxyphenyl)carbamate?
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate has a molecular weight of 319.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-methyl-4-phenoxyphenyl)carbamate is sourced from PubChem (CID 139442804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).