N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

C17H27N3O2 — CID 108960255

IUPACN-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)11-14(10-12)19-16(22)17(3,4)15(21)18-7-8-20(5)6/h9-11H,7-8H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyLXQSPWFTTOXRRG-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108960255) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108960255
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)11-14(10-12)19-16(22)17(3,4)15(21)18-7-8-20(5)6/h9-11H,7-8H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyLXQSPWFTTOXRRG-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.95
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-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966265
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
methyl 4-chloro-3-[[3-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960305
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108960255) is N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is LXQSPWFTTOXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-13(2)11-14(10-12)19-16(22)17(3,4)15(21)18-7-8-20(5)6/h9-11H,7-8H2,1-6H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 305.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108960255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).