[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate

C30H28N2O5 — CID 58520229

IUPAC[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate
SMILESCOc1ccc(C(C)c2ccc(OC(=O)Nc3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O5/c1-20(22-4-12-26(35-3)13-5-22)23-6-14-29(15-7-23)37-30(34)32-25-10-18-28(19-11-25)36-27-16-8-24(9-17-27)31-21(2)33/h4-20H,1-3H3,(H,31,33)(H,32,34)
InChIKeyTWSPSRHJCPEGMW-UHFFFAOYSA-N
MW496.56 g/mol
LogP7.21
Rot. Bonds8

About [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate

[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate (PubChem CID 58520229) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate
PubChem CID58520229
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate
SMILESCOc1ccc(C(C)c2ccc(OC(=O)Nc3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O5/c1-20(22-4-12-26(35-3)13-5-22)23-6-14-29(15-7-23)37-30(34)32-25-10-18-28(19-11-25)36-27-16-8-24(9-17-27)31-21(2)33/h4-20H,1-3H3,(H,31,33)(H,32,34)
InChIKeyTWSPSRHJCPEGMW-UHFFFAOYSA-N
XLogP7.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
1-[(4-acetamidophenoxy)carbonylamino]ethanesulfonic acid
CID 89461771
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
tris[4-[1-[4-(2-methylprop-2-enoylamino)phenyl]ethyl]phenyl] phosphate
CID 91256523

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate?
The IUPAC name of [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate (CID 58520229) is [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate?
The canonical SMILES for [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate is COc1ccc(C(C)c2ccc(OC(=O)Nc3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate?
The InChIKey is TWSPSRHJCPEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-20(22-4-12-26(35-3)13-5-22)23-6-14-29(15-7-23)37-30(34)32-25-10-18-28(19-11-25)36-27-16-8-24(9-17-27)31-21(2)33/h4-20H,1-3H3,(H,31,33)(H,32,34).
What are the key properties of [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate?
[4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate has a molecular weight of 496.56 g/mol, XLogP of 7.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)ethyl]phenyl] N-[4-(4-acetamidophenoxy)phenyl]carbamate is sourced from PubChem (CID 58520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).