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

C23H30N2O3 — CID 108969620

IUPACN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C23H30N2O3/c1-7-25(19-10-8-9-17(4)15-19)22(27)23(5,6)21(26)24-18-11-13-20(14-12-18)28-16(2)3/h8-16H,7H2,1-6H3,(H,24,26)
InChIKeyAXBQEMWQUSPODQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.80
Rot. Bonds7

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

N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108969620) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108969620
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C23H30N2O3/c1-7-25(19-10-8-9-17(4)15-19)22(27)23(5,6)21(26)24-18-11-13-20(14-12-18)28-16(2)3/h8-16H,7H2,1-6H3,(H,24,26)
InChIKeyAXBQEMWQUSPODQ-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.80
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-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
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
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide (CID 108969620) is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is AXBQEMWQUSPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-7-25(19-10-8-9-17(4)15-19)22(27)23(5,6)21(26)24-18-11-13-20(14-12-18)28-16(2)3/h8-16H,7H2,1-6H3,(H,24,26).
What are the key properties of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide?
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 382.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108969620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).