[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate

C16H22N2O5 — CID 163320558

IUPAC[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(C(C)=O)c(OC(=O)N(C)CC)c1
InChIInChI=1S/C16H22N2O5/c1-6-17(4)15(20)22-12-8-9-13(11(3)19)14(10-12)23-16(21)18(5)7-2/h8-10H,6-7H2,1-5H3
InChIKeyJMWOHFDTSLBICL-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.79
Rot. Bonds5

About [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate

[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate (PubChem CID 163320558) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
PubChem CID163320558
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(C(C)=O)c(OC(=O)N(C)CC)c1
InChIInChI=1S/C16H22N2O5/c1-6-17(4)15(20)22-12-8-9-13(11(3)19)14(10-12)23-16(21)18(5)7-2/h8-10H,6-7H2,1-5H3
InChIKeyJMWOHFDTSLBICL-UHFFFAOYSA-N
XLogP2.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-acetyl-3-(diphenylcarbamoyloxy)phenyl] N,N-diphenylcarbamate
CID 163320694
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
4-O-[4-acetyl-3-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butanedioate
CID 70480452
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
CID 68735329
[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 68829372
[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate
CID 141499862
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10848426
[(3E)-3-hydroxyimino-1,2-dihydroinden-5-yl] N-ethyl-N-methylcarbamate
CID 58988449

Frequently Asked Questions

What is the IUPAC name of [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate (CID 163320558) is [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc(C(C)=O)c(OC(=O)N(C)CC)c1.
What is the InChIKey of [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate?
The InChIKey is JMWOHFDTSLBICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-6-17(4)15(20)22-12-8-9-13(11(3)19)14(10-12)23-16(21)18(5)7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate?
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate has a molecular weight of 322.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 163320558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).