N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide

C22H28N2O3 — CID 108969573

IUPACN-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC)c1cccc(C)c1
InChIInChI=1S/C22H28N2O3/c1-7-24(17-10-8-9-15(2)13-17)21(26)22(4,5)20(25)23-18-14-16(3)11-12-19(18)27-6/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyCLTKKVUJTYMYGF-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.33
Rot. Bonds6

About N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide

N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide (PubChem CID 108969573) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
PubChem CID108969573
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC)c1cccc(C)c1
InChIInChI=1S/C22H28N2O3/c1-7-24(17-10-8-9-15(2)13-17)21(26)22(4,5)20(25)23-18-14-16(3)11-12-19(18)27-6/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyCLTKKVUJTYMYGF-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
N-ethyl-2-(2-methoxy-5-methylanilino)-N-(3-methylphenyl)acetamide
CID 109009248
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108963293
3-acetamido-N-ethyl-4-methoxy-N-(3-methylphenyl)benzamide
CID 110764336
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
CID 108532435
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The IUPAC name of N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide (CID 108969573) is N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The canonical SMILES for N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The InChIKey is CLTKKVUJTYMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-7-24(17-10-8-9-15(2)13-17)21(26)22(4,5)20(25)23-18-14-16(3)11-12-19(18)27-6/h8-14H,7H2,1-6H3,(H,23,25).
What are the key properties of N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide has a molecular weight of 368.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108969573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).