N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide

C17H17NO3 — CID 166438028

IUPACN-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
SMILESCON(C)C(=O)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKeyMQCJIQHSJFENOE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds5

About N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide

N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide (PubChem CID 166438028) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
PubChem CID166438028
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
SMILESCON(C)C(=O)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKeyMQCJIQHSJFENOE-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
3-(dimethoxyamino)-3-oxo-2-phenylpropanoic acid
CID 142800715
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamic acid
CID 87978009
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773
ethyl 2,4-dioxo-3,4-diphenylbutanoate
CID 13028771
[4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamic acid
CID 87996763
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
1,2-diphenylheptane-1,3,4-trione
CID 140640375
tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
CID 177455278

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide?
The IUPAC name of N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide (CID 166438028) is N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide?
The canonical SMILES for N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide is CON(C)C(=O)C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide?
The InChIKey is MQCJIQHSJFENOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15H,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide?
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide is sourced from PubChem (CID 166438028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).