N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

C17H28N4O2 — CID 108960203

IUPACN-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H28N4O2/c1-17(2,15(22)19-11-13-20(3)4)16(23)21(5)12-8-14-6-9-18-10-7-14/h6-7,9-10H,8,11-13H2,1-5H3,(H,19,22)
InChIKeySTXAMKPYLRRYMM-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.79
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108960203) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108960203
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H28N4O2/c1-17(2,15(22)19-11-13-20(3)4)16(23)21(5)12-8-14-6-9-18-10-7-14/h6-7,9-10H,8,11-13H2,1-5H3,(H,19,22)
InChIKeySTXAMKPYLRRYMM-UHFFFAOYSA-N
XLogP0.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108960203) is N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is CN(C)CCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is STXAMKPYLRRYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,15(22)19-11-13-20(3)4)16(23)21(5)12-8-14-6-9-18-10-7-14/h6-7,9-10H,8,11-13H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 320.44 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108960203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).