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

C15H20N2O3 — CID 108957499

IUPACN-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2,13(18)16-10-4-5-10)14(19)17-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQKPMIDXZBYUKNG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds5

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

N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108957499) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108957499
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2,13(18)16-10-4-5-10)14(19)17-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQKPMIDXZBYUKNG-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
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-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968533
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (CID 108957499) is N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is QKPMIDXZBYUKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,13(18)16-10-4-5-10)14(19)17-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 276.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).