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

C17H26N2O3 — CID 108958180

IUPACN-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O3/c1-6-12(2)19-16(21)17(3,4)15(20)18-11-13-7-9-14(22-5)10-8-13/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyAIXUIBYXRIYQMZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.25
Rot. Bonds7

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

N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108958180) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108958180
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H26N2O3/c1-6-12(2)19-16(21)17(3,4)15(20)18-11-13-7-9-14(22-5)10-8-13/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyAIXUIBYXRIYQMZ-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.25
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-(ethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 62833195
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
N-butan-2-yl-4-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111183764
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108958180) is N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is AIXUIBYXRIYQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-12(2)19-16(21)17(3,4)15(20)18-11-13-7-9-14(22-5)10-8-13/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 306.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).