[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate

C16H15NO4 — CID 58710916

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
SMILESCOc1ccc(C(=O)COC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-14-9-7-12(8-10-14)15(18)11-21-16(19)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyKYGASHHSYHBIPV-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.13
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate

[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate (PubChem CID 58710916) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
PubChem CID58710916
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
SMILESCOc1ccc(C(=O)COC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-20-14-9-7-12(8-10-14)15(18)11-21-16(19)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeyKYGASHHSYHBIPV-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617103
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
phenacyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926169
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate (CID 58710916) is [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate is COc1ccc(C(=O)COC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate?
The InChIKey is KYGASHHSYHBIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-14-9-7-12(8-10-14)15(18)11-21-16(19)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate?
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate has a molecular weight of 285.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate is sourced from PubChem (CID 58710916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).