N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide

C16H22N2O3 — CID 108957314

IUPACN-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-14(20)16(4,5)15(21)18-13-8-6-12(7-9-13)11(3)19/h6-10H,1-5H3,(H,17,20)(H,18,21)
InChIKeyVWSLVDFTAOPACI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.38
Rot. Bonds5

About N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide

N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide (PubChem CID 108957314) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
PubChem CID108957314
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-14(20)16(4,5)15(21)18-13-8-6-12(7-9-13)11(3)19/h6-10H,1-5H3,(H,17,20)(H,18,21)
InChIKeyVWSLVDFTAOPACI-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
ethyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969766
N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968602
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
CID 65269737

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide (CID 108957314) is N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The InChIKey is VWSLVDFTAOPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)17-14(20)16(4,5)15(21)18-13-8-6-12(7-9-13)11(3)19/h6-10H,1-5H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide?
N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide has a molecular weight of 290.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108957314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).