N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide

C25H31NO7 — CID 155755630

IUPACN-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(CC2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC
InChIInChI=1S/C25H31NO7/c1-6-7-8-21(27)26-17-12-15(9-10-18(17)29-2)11-16-14-33-19-13-20(30-3)24(31-4)25(32-5)22(19)23(16)28/h9-10,12-13,16H,6-8,11,14H2,1-5H3,(H,26,27)
InChIKeyRHGYQUGVKVNDDX-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.28
Rot. Bonds10

About N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide

N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide (PubChem CID 155755630) has the molecular formula C25H31NO7 and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide
PubChem CID155755630
Molecular FormulaC25H31NO7
Molecular Weight457.52 g/mol
Exact Mass457.21
IUPAC NameN-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(CC2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC
InChIInChI=1S/C25H31NO7/c1-6-7-8-21(27)26-17-12-15(9-10-18(17)29-2)11-16-14-33-19-13-20(30-3)24(31-4)25(32-5)22(19)23(16)28/h9-10,12-13,16H,6-8,11,14H2,1-5H3,(H,26,27)
InChIKeyRHGYQUGVKVNDDX-UHFFFAOYSA-N
XLogP4.28
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
3-(butanoylamino)-4-methoxybenzamide
CID 47243869

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide?
The IUPAC name of N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide (CID 155755630) is N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide?
The canonical SMILES for N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide is CCCCC(=O)Nc1cc(CC2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide?
The InChIKey is RHGYQUGVKVNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO7/c1-6-7-8-21(27)26-17-12-15(9-10-18(17)29-2)11-16-14-33-19-13-20(30-3)24(31-4)25(32-5)22(19)23(16)28/h9-10,12-13,16H,6-8,11,14H2,1-5H3,(H,26,27).
What are the key properties of N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide?
N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide has a molecular weight of 457.52 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 155755630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).