N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

C17H26N2O3 — CID 108966294

IUPACN-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)NCCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)10-11-18-15(20)17(3,4)16(21)19-13-8-6-7-9-14(13)22-5/h6-9,12H,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGAUGMMSYYNEDDT-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.82
Rot. Bonds7

About N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (PubChem CID 108966294) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
PubChem CID108966294
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)NCCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)10-11-18-15(20)17(3,4)16(21)19-13-8-6-7-9-14(13)22-5/h6-9,12H,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGAUGMMSYYNEDDT-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (CID 108966294) is N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is COc1ccccc1NC(=O)C(C)(C)C(=O)NCCC(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The InChIKey is GAUGMMSYYNEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)10-11-18-15(20)17(3,4)16(21)19-13-8-6-7-9-14(13)22-5/h6-9,12H,10-11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide has a molecular weight of 306.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108966294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).