3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide

C20H26N2O — CID 110316795

IUPAC3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)c1ccc(C(C(=O)NCc2cccnc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O/c1-14(2)17-7-9-18(10-8-17)19(15(3)4)20(23)22-13-16-6-5-11-21-12-16/h5-12,14-15,19H,13H2,1-4H3,(H,22,23)
InChIKeyGHHGRWPOWNMUSJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.26
Rot. Bonds6

About 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide

3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110316795) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110316795
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)c1ccc(C(C(=O)NCc2cccnc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O/c1-14(2)17-7-9-18(10-8-17)19(15(3)4)20(23)22-13-16-6-5-11-21-12-16/h5-12,14-15,19H,13H2,1-4H3,(H,22,23)
InChIKeyGHHGRWPOWNMUSJ-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 2943822
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide (CID 110316795) is 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide is CC(C)c1ccc(C(C(=O)NCc2cccnc2)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is GHHGRWPOWNMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)17-7-9-18(10-8-17)19(15(3)4)20(23)22-13-16-6-5-11-21-12-16/h5-12,14-15,19H,13H2,1-4H3,(H,22,23).
What are the key properties of 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide?
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 310.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110316795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).