4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide

C33H32N2O4 — CID 66779593

IUPAC4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)c3o2)cc1OC
InChIInChI=1S/C33H32N2O4/c1-20-24(8-7-9-26(20)35-32(36)21-10-13-23(14-11-21)33(2,3)4)25-16-17-34-27-19-29(39-31(25)27)22-12-15-28(37-5)30(18-22)38-6/h7-19H,1-6H3,(H,35,36)
InChIKeyRBURMZWIMLDHQA-UHFFFAOYSA-N
MW520.63 g/mol
LogP8.04
Rot. Bonds6

About 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide

4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide (PubChem CID 66779593) has the molecular formula C33H32N2O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide
PubChem CID66779593
Molecular FormulaC33H32N2O4
Molecular Weight520.63 g/mol
Exact Mass520.24
IUPAC Name4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)c3o2)cc1OC
InChIInChI=1S/C33H32N2O4/c1-20-24(8-7-9-26(20)35-32(36)21-10-13-23(14-11-21)33(2,3)4)25-16-17-34-27-19-29(39-31(25)27)22-12-15-28(37-5)30(18-22)38-6/h7-19H,1-6H3,(H,35,36)
InChIKeyRBURMZWIMLDHQA-UHFFFAOYSA-N
XLogP8.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 118011717
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438711
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide (CID 66779593) is 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide is COc1ccc(-c2cc3nccc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)c3o2)cc1OC.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide?
The InChIKey is RBURMZWIMLDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O4/c1-20-24(8-7-9-26(20)35-32(36)21-10-13-23(14-11-21)33(2,3)4)25-16-17-34-27-19-29(39-31(25)27)22-12-15-28(37-5)30(18-22)38-6/h7-19H,1-6H3,(H,35,36).
What are the key properties of 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide?
4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide has a molecular weight of 520.63 g/mol, XLogP of 8.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 66779593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).