N,3-bis(4-methoxyphenyl)-3-oxopropanamide

C17H17NO4 — CID 23763529

IUPACN,3-bis(4-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-14-7-3-12(4-8-14)16(19)11-17(20)18-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyWAGBJUSSHSDKAE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.92
Rot. Bonds6

About N,3-bis(4-methoxyphenyl)-3-oxopropanamide

N,3-bis(4-methoxyphenyl)-3-oxopropanamide (PubChem CID 23763529) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N,3-bis(4-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound NameN,3-bis(4-methoxyphenyl)-3-oxopropanamide
PubChem CID23763529
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN,3-bis(4-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-21-14-7-3-12(4-8-14)16(19)11-17(20)18-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyWAGBJUSSHSDKAE-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,3-bis(4-methoxyphenyl)-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
3-(4-iodoanilino)-1-(4-methoxyphenyl)but-3-en-1-one
CID 2290920
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of N,3-bis(4-methoxyphenyl)-3-oxopropanamide (CID 23763529) is N,3-bis(4-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for N,3-bis(4-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for N,3-bis(4-methoxyphenyl)-3-oxopropanamide is COc1ccc(NC(=O)CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,3-bis(4-methoxyphenyl)-3-oxopropanamide?
The InChIKey is WAGBJUSSHSDKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-14-7-3-12(4-8-14)16(19)11-17(20)18-13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N,3-bis(4-methoxyphenyl)-3-oxopropanamide?
N,3-bis(4-methoxyphenyl)-3-oxopropanamide has a molecular weight of 299.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 23763529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).