N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide

C23H21NO4 — CID 170446132

IUPACN-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-14(25)24-17-6-2-16(3-7-17)23-20-11-10-19(27)12-22(20)28-13-21(23)15-4-8-18(26)9-5-15/h2-12,21,23,26-27H,13H2,1H3,(H,24,25)
InChIKeyBPWZVVGGKBOHIR-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.36
Rot. Bonds3

About N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide

N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide (PubChem CID 170446132) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
PubChem CID170446132
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-14(25)24-17-6-2-16(3-7-17)23-20-11-10-19(27)12-22(20)28-13-21(23)15-4-8-18(26)9-5-15/h2-12,21,23,26-27H,13H2,1H3,(H,24,25)
InChIKeyBPWZVVGGKBOHIR-UHFFFAOYSA-N
XLogP4.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
methyl 2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]acetate
CID 54235827
methyl 2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]acetate
CID 67595470
4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
N-[4-[7-(5-aminopentyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide;ethenol
CID 170611088
1-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine-4-carbaldehyde
CID 155196578
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;(3S,4R)-3-(4-hydroxyphenyl)-4-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 158304578

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide (CID 170446132) is N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide?
The InChIKey is BPWZVVGGKBOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14(25)24-17-6-2-16(3-7-17)23-20-11-10-19(27)12-22(20)28-13-21(23)15-4-8-18(26)9-5-15/h2-12,21,23,26-27H,13H2,1H3,(H,24,25).
What are the key properties of N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide?
N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide is sourced from PubChem (CID 170446132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).