N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide

C21H26N2O3 — CID 108969447

IUPACN-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-6-23(17-9-7-8-15(2)14-17)20(25)21(3,4)19(24)22-16-10-12-18(26-5)13-11-16/h7-14H,6H2,1-5H3,(H,22,24)
InChIKeyAQCUAJKAEAHYBP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.02
Rot. Bonds6

About N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide

N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide (PubChem CID 108969447) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
PubChem CID108969447
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-6-23(17-9-7-8-15(2)14-17)20(25)21(3,4)19(24)22-16-10-12-18(26-5)13-11-16/h7-14H,6H2,1-5H3,(H,22,24)
InChIKeyAQCUAJKAEAHYBP-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.02
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-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
CID 108968333
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109190548
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The IUPAC name of N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide (CID 108969447) is N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The canonical SMILES for N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The InChIKey is AQCUAJKAEAHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-6-23(17-9-7-8-15(2)14-17)20(25)21(3,4)19(24)22-16-10-12-18(26-5)13-11-16/h7-14H,6H2,1-5H3,(H,22,24).
What are the key properties of N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108969447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).