N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide

C23H31N3O3 — CID 108969471

IUPACN-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H31N3O3/c1-6-26(7-2)18-15-13-17(14-16-18)24-21(27)23(4,5)22(28)25-19-11-9-10-12-20(19)29-8-3/h9-16H,6-8H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHEVYJJKWLOJSRL-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.53
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide

N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969471) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969471
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H31N3O3/c1-6-26(7-2)18-15-13-17(14-16-18)24-21(27)23(4,5)22(28)25-19-11-9-10-12-20(19)29-8-3/h9-16H,6-8H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHEVYJJKWLOJSRL-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108962843
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide (CID 108969471) is N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide is CCOc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is HEVYJJKWLOJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-26(7-2)18-15-13-17(14-16-18)24-21(27)23(4,5)22(28)25-19-11-9-10-12-20(19)29-8-3/h9-16H,6-8H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide?
N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 397.52 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).