4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide

C26H29N3O4 — CID 55645199

IUPAC4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O4/c1-26(2,3)20-9-7-19(8-10-20)25(31)28-16-24(30)29-21-11-12-22(32-4)23(14-21)33-17-18-6-5-13-27-15-18/h5-15H,16-17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyKEZIFQWLUOXRBV-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.34
Rot. Bonds8

About 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide (PubChem CID 55645199) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
PubChem CID55645199
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O4/c1-26(2,3)20-9-7-19(8-10-20)25(31)28-16-24(30)29-21-11-12-22(32-4)23(14-21)33-17-18-6-5-13-27-15-18/h5-15H,16-17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyKEZIFQWLUOXRBV-UHFFFAOYSA-N
XLogP4.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
CID 43069846
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]furan-3-carboxamide
CID 38629741
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 38627862
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide (CID 55645199) is 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cccnc1.
What is the InChIKey of 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide?
The InChIKey is KEZIFQWLUOXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-26(2,3)20-9-7-19(8-10-20)25(31)28-16-24(30)29-21-11-12-22(32-4)23(14-21)33-17-18-6-5-13-27-15-18/h5-15H,16-17H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55645199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).