N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C24H24ClNO7 — CID 91973470

IUPACN-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2cccc(Cl)c2)c2c(O)cc(C)oc2=O)cc(OC)c1OC
InChIInChI=1S/C24H24ClNO7/c1-13-8-18(27)22(24(29)33-13)17(12-21(28)26-16-7-5-6-15(25)11-16)14-9-19(30-2)23(32-4)20(10-14)31-3/h5-11,17,27H,12H2,1-4H3,(H,26,28)
InChIKeySIBKSUDEUAESRN-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.49
Rot. Bonds8

About N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 91973470) has the molecular formula C24H24ClNO7 and a molecular weight of 473.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID91973470
Molecular FormulaC24H24ClNO7
Molecular Weight473.91 g/mol
Exact Mass473.12
IUPAC NameN-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(CC(=O)Nc2cccc(Cl)c2)c2c(O)cc(C)oc2=O)cc(OC)c1OC
InChIInChI=1S/C24H24ClNO7/c1-13-8-18(27)22(24(29)33-13)17(12-21(28)26-16-7-5-6-15(25)11-16)14-9-19(30-2)23(32-4)20(10-14)31-3/h5-11,17,27H,12H2,1-4H3,(H,26,28)
InChIKeySIBKSUDEUAESRN-UHFFFAOYSA-N
XLogP4.49
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-N,3-bis(3,4,5-trimethoxyphenyl)propanamide
CID 124890926
N-(3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)propanamide
CID 91973487
N-(4-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(4-methoxyphenyl)propanamide
CID 91973446
N-(4-chlorophenyl)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)propanamide
CID 91973448
N-[4-[[(3R)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino]phenyl]-2-methylpropanamide
CID 125428522
2-[4-[[(3S)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino]phenyl]acetic acid
CID 125429996
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
(3R)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 124891209
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
(3R)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 125122035
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
3-(4-hydroxy-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 91973680

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 91973470) is N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(C(CC(=O)Nc2cccc(Cl)c2)c2c(O)cc(C)oc2=O)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is SIBKSUDEUAESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO7/c1-13-8-18(27)22(24(29)33-13)17(12-21(28)26-16-7-5-6-15(25)11-16)14-9-19(30-2)23(32-4)20(10-14)31-3/h5-11,17,27H,12H2,1-4H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 473.91 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 91973470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).