[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate

C34H26N2O5 — CID 163320694

IUPAC[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
SMILESCC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N2O5/c1-25(37)31-23-22-30(40-33(38)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-32(31)41-34(39)36(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3
InChIKeyPNCJGENPVJCLMX-UHFFFAOYSA-N
MW542.59 g/mol
LogP8.56
Rot. Bonds7

About [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate

[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate (PubChem CID 163320694) has the molecular formula C34H26N2O5 and a molecular weight of 542.59 g/mol. Its IUPAC name is [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
PubChem CID163320694
Molecular FormulaC34H26N2O5
Molecular Weight542.59 g/mol
Exact Mass542.18
IUPAC Name[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
SMILESCC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N2O5/c1-25(37)31-23-22-30(40-33(38)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-32(31)41-34(39)36(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3
InChIKeyPNCJGENPVJCLMX-UHFFFAOYSA-N
XLogP8.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-phenylcarbamate hydrochloride
CID 11800701
Chalcone, 4-(dimethylamino)-2',4'-dimethoxy-
CID 5743234
[8-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-2,2-dimethylchromen-5-yl] adamantane-2-carboxylate
CID 72205708
[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3-hydroxyphenyl] pyrrolidine-1-carboxylate
CID 132819950
[3-hydroxy-4-[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]phenyl] pyrrolidine-1-carboxylate
CID 134130716
4-Dimethylamino-2',4',6'-trimethoxychalcone
CID 6386019
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]-N-phenylbenzamide
CID 10070582
3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]-N-phenylbenzamide
CID 10251397
[5-Methoxy-2-[1-(2-methylphenyl)-6-oxopyridine-3-carbonyl]phenyl] 2-ethylhexanoate
CID 71478312
[5-Methoxy-2-[1-(2-methylphenyl)-6-oxopyridine-3-carbonyl]phenyl] 4-methylbenzoate
CID 72374965
Benzyl [5-methoxy-2-[1-(2-methylphenyl)-6-oxopyridine-3-carbonyl]phenyl] carbonate
CID 72374967
3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-methoxychromen-4-one
CID 164618503

Frequently Asked Questions

What is the IUPAC name of [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate?
The IUPAC name of [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate (CID 163320694) is [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate.
What is the SMILES notation for [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate?
The canonical SMILES for [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate is CC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1OC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate?
The InChIKey is PNCJGENPVJCLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O5/c1-25(37)31-23-22-30(40-33(38)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-32(31)41-34(39)36(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3.
What are the key properties of [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate?
[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate has a molecular weight of 542.59 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate is sourced from PubChem (CID 163320694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).