N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

C22H28N2O4 — CID 108969538

IUPACN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)28-19-10-8-7-9-16(19)23-20(25)22(4,5)21(26)24-17-13-15(3)11-12-18(17)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyAQAJPTRLGMLWEK-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.39
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide

N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108969538) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108969538
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)28-19-10-8-7-9-16(19)23-20(25)22(4,5)21(26)24-17-13-15(3)11-12-18(17)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyAQAJPTRLGMLWEK-UHFFFAOYSA-N
XLogP4.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.39
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

2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
6-(2-methoxy-5-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164204
N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108958662
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108969538) is N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is AQAJPTRLGMLWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)28-19-10-8-7-9-16(19)23-20(25)22(4,5)21(26)24-17-13-15(3)11-12-18(17)27-6/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 384.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108969538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).