N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide

C17H26N2O2 — CID 108965699

IUPACN'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-7-19(8-2)16(21)17(5,6)15(20)18-14-10-9-12(3)13(4)11-14/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyIZYKCLRQDKOXQN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide

N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide (PubChem CID 108965699) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
PubChem CID108965699
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-7-19(8-2)16(21)17(5,6)15(20)18-14-10-9-12(3)13(4)11-14/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyIZYKCLRQDKOXQN-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965727
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
1-tert-butyl-3-(3,4-dimethylphenyl)-1-ethylurea
CID 108894089
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957663
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide (CID 108965699) is N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide is CCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide?
The InChIKey is IZYKCLRQDKOXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-7-19(8-2)16(21)17(5,6)15(20)18-14-10-9-12(3)13(4)11-14/h9-11H,7-8H2,1-6H3,(H,18,20).
What are the key properties of N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide?
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).