N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide

C16H22N2O3 — CID 108957501

IUPACN-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-13-9-7-12(8-10-13)18-15(20)16(2,3)14(19)17-11-5-6-11/h7-11H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJXUTXZSSPBYRDJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds6

About N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide

N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108957501) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108957501
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-13-9-7-12(8-10-13)18-15(20)16(2,3)14(19)17-11-5-6-11/h7-11H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJXUTXZSSPBYRDJ-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (CID 108957501) is N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is CCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is JXUTXZSSPBYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-13-9-7-12(8-10-13)18-15(20)16(2,3)14(19)17-11-5-6-11/h7-11H,4-6H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).