N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide

C19H21NO5 — CID 90535736

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(O)CCOc3ccccc32)c1
InChIInChI=1S/C19H21NO5/c1-23-14-9-13(10-15(11-14)24-2)18(21)20-12-19(22)7-8-25-17-6-4-3-5-16(17)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyLOPCPJOLIRXBPZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.10
Rot. Bonds5

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 90535736) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID90535736
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(O)CCOc3ccccc32)c1
InChIInChI=1S/C19H21NO5/c1-23-14-9-13(10-15(11-14)24-2)18(21)20-12-19(22)7-8-25-17-6-4-3-5-16(17)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyLOPCPJOLIRXBPZ-UHFFFAOYSA-N
XLogP2.10
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
CID 90535975
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
1-(2,3-dimethoxyphenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535991
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide (CID 90535736) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2(O)CCOc3ccccc32)c1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is LOPCPJOLIRXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-14-9-13(10-15(11-14)24-2)18(21)20-12-19(22)7-8-25-17-6-4-3-5-16(17)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 90535736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).