2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C17H20N2O — CID 2995900

IUPAC2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)16(20)19-15-6-4-13(5-7-15)12-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyCJKAVJBSSPKLTE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds3

About 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 2995900) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID2995900
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)16(20)19-15-6-4-13(5-7-15)12-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyCJKAVJBSSPKLTE-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275
2-hydroxyimino-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide;hydrochloride
CID 88750812
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 2995900) is 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is CJKAVJBSSPKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)16(20)19-15-6-4-13(5-7-15)12-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,19,20).
What are the key properties of 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 2995900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).