N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide

C21H27N3O2 — CID 108962257

IUPACN-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)C(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(2,20(26)24(4)16-18-8-6-5-7-9-18)19(25)23(3)15-12-17-10-13-22-14-11-17/h5-11,13-14H,12,15-16H2,1-4H3
InChIKeySWPIAZFZWBPIET-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.77
Rot. Bonds7

About N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108962257) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108962257
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(CCc1ccncc1)C(=O)C(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(2,20(26)24(4)16-18-8-6-5-7-9-18)19(25)23(3)15-12-17-10-13-22-14-11-17/h5-11,13-14H,12,15-16H2,1-4H3
InChIKeySWPIAZFZWBPIET-UHFFFAOYSA-N
XLogP2.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108962257) is N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide is CN(CCc1ccncc1)C(=O)C(C)(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is SWPIAZFZWBPIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,20(26)24(4)16-18-8-6-5-7-9-18)19(25)23(3)15-12-17-10-13-22-14-11-17/h5-11,13-14H,12,15-16H2,1-4H3.
What are the key properties of N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 353.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108962257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).