N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide

C17H27N3O2 — CID 108965752

IUPACN'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-7-20(8-2)16(22)17(3,4)15(21)18-13-9-11-14(12-10-13)19(5)6/h9-12H,7-8H2,1-6H3,(H,18,21)
InChIKeyHMINIFMAZSXRFI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.59
Rot. Bonds6

About N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide

N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide (PubChem CID 108965752) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
PubChem CID108965752
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-7-20(8-2)16(22)17(3,4)15(21)18-13-9-11-14(12-10-13)19(5)6/h9-12H,7-8H2,1-6H3,(H,18,21)
InChIKeyHMINIFMAZSXRFI-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965727
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920623
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966874
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(dimethylamino)phenyl]-2,2-dimethylpropanediamide
CID 108969885
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide (CID 108965752) is N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide is CCN(CC)C(=O)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide?
The InChIKey is HMINIFMAZSXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-7-20(8-2)16(22)17(3,4)15(21)18-13-9-11-14(12-10-13)19(5)6/h9-12H,7-8H2,1-6H3,(H,18,21).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide?
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide has a molecular weight of 305.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).