4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide

C25H26N2O3 — CID 55707023

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1C
InChIInChI=1S/C25H26N2O3/c1-18-8-9-22(14-19(18)2)23(28)10-11-24(29)27-16-21-12-13-26-25(15-21)30-17-20-6-4-3-5-7-20/h3-9,12-15H,10-11,16-17H2,1-2H3,(H,27,29)
InChIKeyZIMXTUZSDBUTAD-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.56
Rot. Bonds9

About 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide (PubChem CID 55707023) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
PubChem CID55707023
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1C
InChIInChI=1S/C25H26N2O3/c1-18-8-9-22(14-19(18)2)23(28)10-11-24(29)27-16-21-12-13-26-25(15-21)30-17-20-6-4-3-5-7-20/h3-9,12-15H,10-11,16-17H2,1-2H3,(H,27,29)
InChIKeyZIMXTUZSDBUTAD-UHFFFAOYSA-N
XLogP4.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
benzyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 26263009
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
2-[(3-methylphenyl)methylsulfanyl]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707046
methyl 5-[[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate
CID 27819912
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 8944686
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
4-(3,4-dimethylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide
CID 33022919

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide (CID 55707023) is 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
The InChIKey is ZIMXTUZSDBUTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-8-9-22(14-19(18)2)23(28)10-11-24(29)27-16-21-12-13-26-25(15-21)30-17-20-6-4-3-5-7-20/h3-9,12-15H,10-11,16-17H2,1-2H3,(H,27,29).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide has a molecular weight of 402.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 55707023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).