(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate

C22H19NO4 — CID 3717278

IUPAC(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-19-15-9-8-14-18(19)23-22(25)27-21(17-12-6-3-7-13-17)20(24)16-10-4-2-5-11-16/h2-15,21H,1H3,(H,23,25)
InChIKeyDMAJRZKPSZJADV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.87
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate

(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate (PubChem CID 3717278) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate
PubChem CID3717278
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c1-26-19-15-9-8-14-18(19)23-22(25)27-21(17-12-6-3-7-13-17)20(24)16-10-4-2-5-11-16/h2-15,21H,1H3,(H,23,25)
InChIKeyDMAJRZKPSZJADV-UHFFFAOYSA-N
XLogP4.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-(2-methoxyanilino)-4-oxobutanoate
CID 126188613
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245
[(1R)-2-oxo-1,2-diphenylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2347509

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate (CID 3717278) is (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate?
The InChIKey is DMAJRZKPSZJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-19-15-9-8-14-18(19)23-22(25)27-21(17-12-6-3-7-13-17)20(24)16-10-4-2-5-11-16/h2-15,21H,1H3,(H,23,25).
What are the key properties of (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate?
(2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate has a molecular weight of 361.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 3717278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).