4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide

C20H25NO3 — CID 68807719

IUPAC4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide
SMILESCOC(C)(OC)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-19(2,16-9-7-6-8-10-16)21-18(22)15-11-13-17(14-12-15)20(3,23-4)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeyWCATZLXIPKMNOD-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds6

About 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide

4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 68807719) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide
PubChem CID68807719
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide
SMILESCOC(C)(OC)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-19(2,16-9-7-6-8-10-16)21-18(22)15-11-13-17(14-12-15)20(3,23-4)24-5/h6-14H,1-5H3,(H,21,22)
InChIKeyWCATZLXIPKMNOD-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide (CID 68807719) is 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide is COC(C)(OC)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is WCATZLXIPKMNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-19(2,16-9-7-6-8-10-16)21-18(22)15-11-13-17(14-12-15)20(3,23-4)24-5/h6-14H,1-5H3,(H,21,22).
What are the key properties of 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide?
4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxyethyl)-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 68807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).