N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide

C21H27N3O2 — CID 108963371

IUPACN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCc1ccccn1
InChIInChI=1S/C21H27N3O2/c1-16(2)24(15-17-10-6-5-7-11-17)20(26)21(3,4)19(25)23-14-18-12-8-9-13-22-18/h5-13,16H,14-15H2,1-4H3,(H,23,25)
InChIKeyZVNZYLMGJJVUIH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.16
Rot. Bonds7

About N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide

N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108963371) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108963371
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCc1ccccn1
InChIInChI=1S/C21H27N3O2/c1-16(2)24(15-17-10-6-5-7-11-17)20(26)21(3,4)19(25)23-14-18-12-8-9-13-22-18/h5-13,16H,14-15H2,1-4H3,(H,23,25)
InChIKeyZVNZYLMGJJVUIH-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
2-[benzyl-(2-phenylacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133148969
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 5023437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide (CID 108963371) is N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide is CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCc1ccccn1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is ZVNZYLMGJJVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)24(15-17-10-6-5-7-11-17)20(26)21(3,4)19(25)23-14-18-12-8-9-13-22-18/h5-13,16H,14-15H2,1-4H3,(H,23,25).
What are the key properties of N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide?
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 353.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108963371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).