N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide

C19H24N2O2 — CID 125167436

IUPACN-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc([C@H](NC(=O)COC(C)C)c2cccnc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-12-18(22)21-19(16-6-5-9-20-11-16)17-8-7-14(3)10-15(17)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyPJLBYBFIIOCCJW-LJQANCHMSA-N
MW312.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide

N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide (PubChem CID 125167436) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
PubChem CID125167436
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
SMILESCc1ccc([C@H](NC(=O)COC(C)C)c2cccnc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-12-18(22)21-19(16-6-5-9-20-11-16)17-8-7-14(3)10-15(17)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyPJLBYBFIIOCCJW-LJQANCHMSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 125159123
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide (CID 125167436) is N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide is Cc1ccc([C@H](NC(=O)COC(C)C)c2cccnc2)c(C)c1.
What is the InChIKey of N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide?
The InChIKey is PJLBYBFIIOCCJW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)23-12-18(22)21-19(16-6-5-9-20-11-16)17-8-7-14(3)10-15(17)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide?
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 125167436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).