N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C18H28N2O3 — CID 108964427

IUPACN-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)20-16(22)18(4,5)15(21)19-12-11-13-7-9-14(23-6)10-8-13/h7-10H,11-12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyXORFHTZHQUNTGJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.29
Rot. Bonds6

About N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964427) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964427
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)20-16(22)18(4,5)15(21)19-12-11-13-7-9-14(23-6)10-8-13/h7-10H,11-12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyXORFHTZHQUNTGJ-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.29
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-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 43384732
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110965810
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964427) is N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1ccc(CCNC(=O)C(C)(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is XORFHTZHQUNTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)20-16(22)18(4,5)15(21)19-12-11-13-7-9-14(23-6)10-8-13/h7-10H,11-12H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 320.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).