N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

C16H22N4O2 — CID 108960346

IUPACN-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O2/c1-16(2,14(21)18-9-10-20(3)4)15(22)19-13-7-5-12(11-17)6-8-13/h5-8H,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyYOBPLPKALNVUNN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.20
Rot. Bonds6

About N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108960346) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
PubChem CID108960346
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O2/c1-16(2,14(21)18-9-10-20(3)4)15(22)19-13-7-5-12(11-17)6-8-13/h5-8H,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyYOBPLPKALNVUNN-UHFFFAOYSA-N
XLogP1.20
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(4-cyanophenyl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967624

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (CID 108960346) is N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is CN(C)CCNC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is YOBPLPKALNVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,14(21)18-9-10-20(3)4)15(22)19-13-7-5-12(11-17)6-8-13/h5-8H,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 302.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108960346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).