methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate

C17H16N2O5 — CID 10782485

IUPACmethyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate
SMILESCOC(=O)NNC(=O)c1ccccc1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O5/c1-24-17(23)19-18-16(22)14-5-3-2-4-12(14)10-15(21)11-6-8-13(20)9-7-11/h2-9,20H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyYOKAGIUVFDYAOU-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.82
Rot. Bonds4

About methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate

methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate (PubChem CID 10782485) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate
PubChem CID10782485
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Namemethyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate
SMILESCOC(=O)NNC(=O)c1ccccc1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O5/c1-24-17(23)19-18-16(22)14-5-3-2-4-12(14)10-15(21)11-6-8-13(20)9-7-11/h2-9,20H,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyYOKAGIUVFDYAOU-UHFFFAOYSA-N
XLogP1.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
CID 19801522
N-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]benzenecarbothioamide
CID 163986172
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
CID 135992560
methyl 2-[[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]benzoyl]amino]acetate
CID 123282588
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
CID 10756617
N,2-bis(methoxymethyl)benzamide
CID 91153220

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate?
The IUPAC name of methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate (CID 10782485) is methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate.
What is the SMILES notation for methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate?
The canonical SMILES for methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate is COC(=O)NNC(=O)c1ccccc1CC(=O)c1ccc(O)cc1.
What is the InChIKey of methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate?
The InChIKey is YOKAGIUVFDYAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-24-17(23)19-18-16(22)14-5-3-2-4-12(14)10-15(21)11-6-8-13(20)9-7-11/h2-9,20H,10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate?
methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate has a molecular weight of 328.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoyl]amino]carbamate is sourced from PubChem (CID 10782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).