N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

C21H24N2O4 — CID 108963093

IUPACN-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(24)16-7-9-17(10-8-16)23-20(26)21(2,3)19(25)22-13-15-5-11-18(27-4)12-6-15/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBKROHUOOGHQRFC-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.18
Rot. Bonds7

About N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108963093) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108963093
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(24)16-7-9-17(10-8-16)23-20(26)21(2,3)19(25)22-13-15-5-11-18(27-4)12-6-15/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBKROHUOOGHQRFC-UHFFFAOYSA-N
XLogP3.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.18
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

N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964399
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
N-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108958180
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
N-[(3,4-dimethoxyphenyl)methyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965127

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108963093) is N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is COc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is BKROHUOOGHQRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(24)16-7-9-17(10-8-16)23-20(26)21(2,3)19(25)22-13-15-5-11-18(27-4)12-6-15/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 368.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).