N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide

C27H27NO7 — CID 155810859

IUPACN-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(C3CC(=O)c4c(cc(OC)c(OC)c4OC)O3)c2)c1
InChIInChI=1S/C27H27NO7/c1-31-19-10-5-7-16(11-19)15-28-27(30)18-9-6-8-17(12-18)21-13-20(29)24-22(35-21)14-23(32-2)25(33-3)26(24)34-4/h5-12,14,21H,13,15H2,1-4H3,(H,28,30)
InChIKeyXDSVFJYJFQYORM-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.36
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide

N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide (PubChem CID 155810859) has the molecular formula C27H27NO7 and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
PubChem CID155810859
Molecular FormulaC27H27NO7
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(C3CC(=O)c4c(cc(OC)c(OC)c4OC)O3)c2)c1
InChIInChI=1S/C27H27NO7/c1-31-19-10-5-7-16(11-19)15-28-27(30)18-9-6-8-17(12-18)21-13-20(29)24-22(35-21)14-23(32-2)25(33-3)26(24)34-4/h5-12,14,21H,13,15H2,1-4H3,(H,28,30)
InChIKeyXDSVFJYJFQYORM-UHFFFAOYSA-N
XLogP4.36
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
CID 155815499
3-bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide
CID 155812717
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)anilino]pentan-2-yl]carbamate
CID 170854646
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide (CID 155810859) is N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide is COc1cccc(CNC(=O)c2cccc(C3CC(=O)c4c(cc(OC)c(OC)c4OC)O3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide?
The InChIKey is XDSVFJYJFQYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO7/c1-31-19-10-5-7-16(11-19)15-28-27(30)18-9-6-8-17(12-18)21-13-20(29)24-22(35-21)14-23(32-2)25(33-3)26(24)34-4/h5-12,14,21H,13,15H2,1-4H3,(H,28,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide?
N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide has a molecular weight of 477.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide is sourced from PubChem (CID 155810859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).