2,2-bis(2-methoxyphenyl)propanediamide

C17H18N2O4 — CID 118221758

IUPAC2,2-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1C(C(N)=O)(C(N)=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O4/c1-22-13-9-5-3-7-11(13)17(15(18)20,16(19)21)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyXHDQYVBIOAUGSU-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.96
Rot. Bonds6

About 2,2-bis(2-methoxyphenyl)propanediamide

2,2-bis(2-methoxyphenyl)propanediamide (PubChem CID 118221758) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,2-bis(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(2-methoxyphenyl)propanediamide
PubChem CID118221758
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2,2-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1C(C(N)=O)(C(N)=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O4/c1-22-13-9-5-3-7-11(13)17(15(18)20,16(19)21)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyXHDQYVBIOAUGSU-UHFFFAOYSA-N
XLogP0.96
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
2-(2-fluoroanilino)-2-(2-methoxyphenyl)propanamide
CID 60992388
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
ethane;(2-methoxyphenyl) 2-tert-butylbenzoate
CID 118040465
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyphenyl)propanediamide?
The IUPAC name of 2,2-bis(2-methoxyphenyl)propanediamide (CID 118221758) is 2,2-bis(2-methoxyphenyl)propanediamide.
What is the SMILES notation for 2,2-bis(2-methoxyphenyl)propanediamide?
The canonical SMILES for 2,2-bis(2-methoxyphenyl)propanediamide is COc1ccccc1C(C(N)=O)(C(N)=O)c1ccccc1OC.
What is the InChIKey of 2,2-bis(2-methoxyphenyl)propanediamide?
The InChIKey is XHDQYVBIOAUGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-13-9-5-3-7-11(13)17(15(18)20,16(19)21)12-8-4-6-10-14(12)23-2/h3-10H,1-2H3,(H2,18,20)(H2,19,21).
What are the key properties of 2,2-bis(2-methoxyphenyl)propanediamide?
2,2-bis(2-methoxyphenyl)propanediamide has a molecular weight of 314.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 118221758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).