N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

C17H24N2O4 — CID 108959753

IUPACN-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-12(20)13-6-8-14(9-7-13)19-16(22)17(2,3)15(21)18-10-5-11-23-4/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyLFNOUICBWHDBGY-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.01
Rot. Bonds8

About N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (PubChem CID 108959753) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
PubChem CID108959753
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-12(20)13-6-8-14(9-7-13)19-16(22)17(2,3)15(21)18-10-5-11-23-4/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyLFNOUICBWHDBGY-UHFFFAOYSA-N
XLogP2.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959754
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964399
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
ethyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969766
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (CID 108959753) is N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is COCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The InChIKey is LFNOUICBWHDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(20)13-6-8-14(9-7-13)19-16(22)17(2,3)15(21)18-10-5-11-23-4/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide has a molecular weight of 320.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).