ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen

C26H30N2O5 — CID 169213914

IUPACethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen
SMILESCCOC(=O)Cn1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)cc2OC)ccc1=O.[H][H]
InChIInChI=1S/C26H28N2O5.H2/c1-5-33-25(30)16-28-15-21(11-13-24(28)29)27-26(31)22-12-10-20(14-23(22)32-4)19-8-6-18(7-9-19)17(2)3;/h6-15,17H,5,16H2,1-4H3,(H,27,31);1H
InChIKeyJHMFDRJJHWKAIP-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.71
Rot. Bonds8

About ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen

ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen (PubChem CID 169213914) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen
PubChem CID169213914
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Nameethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen
SMILESCCOC(=O)Cn1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)cc2OC)ccc1=O.[H][H]
InChIInChI=1S/C26H28N2O5.H2/c1-5-33-25(30)16-28-15-21(11-13-24(28)29)27-26(31)22-12-10-20(14-23(22)32-4)19-8-6-18(7-9-19)17(2)3;/h6-15,17H,5,16H2,1-4H3,(H,27,31);1H
InChIKeyJHMFDRJJHWKAIP-UHFFFAOYSA-N
XLogP4.71
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen with MolForge

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Related Compounds

4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
2-methoxy-N-(2-methyl-4-pyridinyl)-4-propan-2-ylbenzamide
CID 110762949
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methoxybenzamide
CID 81393711
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
ethyl 2-[5-[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl]-2-oxo-1-pyridinyl]acetate
CID 87553673
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen?
The IUPAC name of ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen (CID 169213914) is ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen.
What is the SMILES notation for ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen?
The canonical SMILES for ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen is CCOC(=O)Cn1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)cc2OC)ccc1=O.[H][H].
What is the InChIKey of ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen?
The InChIKey is JHMFDRJJHWKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5.H2/c1-5-33-25(30)16-28-15-21(11-13-24(28)29)27-26(31)22-12-10-20(14-23(22)32-4)19-8-6-18(7-9-19)17(2)3;/h6-15,17H,5,16H2,1-4H3,(H,27,31);1H.
What are the key properties of ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen?
ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen has a molecular weight of 450.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[2-methoxy-4-(4-propan-2-ylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetate;molecular hydrogen is sourced from PubChem (CID 169213914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).