3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide

C18H20N2O3 — CID 51220295

IUPAC3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NOCc2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)18(22)19-11-17(21)20-23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYCGFUMYIWPRDME-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds6

About 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide (PubChem CID 51220295) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
PubChem CID51220295
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NOCc2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)18(22)19-11-17(21)20-23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYCGFUMYIWPRDME-UHFFFAOYSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220307
3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220288
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
benzyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 26263009

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide (CID 51220295) is 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NOCc2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The InChIKey is YCGFUMYIWPRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)18(22)19-11-17(21)20-23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide is sourced from PubChem (CID 51220295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).