N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide

C32H30N2O5 — CID 130413037

IUPACN-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(O)C(C)(C)O2)cc1
InChIInChI=1S/C32H30N2O5/c1-20(35)34(21(2)36)26-15-10-24(11-16-26)30-29(31(37)32(3,4)39-30)23-12-17-27(18-13-23)38-19-25-14-9-22-7-5-6-8-28(22)33-25/h5-18,31,37H,19H2,1-4H3
InChIKeyLBJHAJMGKICXBF-UHFFFAOYSA-N
MW522.60 g/mol
LogP5.75
Rot. Bonds6

About N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide

N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide (PubChem CID 130413037) has the molecular formula C32H30N2O5 and a molecular weight of 522.60 g/mol. Its IUPAC name is N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide
PubChem CID130413037
Molecular FormulaC32H30N2O5
Molecular Weight522.60 g/mol
Exact Mass522.22
IUPAC NameN-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(O)C(C)(C)O2)cc1
InChIInChI=1S/C32H30N2O5/c1-20(35)34(21(2)36)26-15-10-24(11-16-26)30-29(31(37)32(3,4)39-30)23-12-17-27(18-13-23)38-19-25-14-9-22-7-5-6-8-28(22)33-25/h5-18,31,37H,19H2,1-4H3
InChIKeyLBJHAJMGKICXBF-UHFFFAOYSA-N
XLogP5.75
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
5-(4-isocyanophenyl)-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one
CID 59354772
5-[4-(difluoromethoxy)phenyl]-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one
CID 130404190
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[2,2-dimethyl-5-oxo-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-yl]benzonitrile
CID 44595311
2-[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]propanethioic S-acid
CID 54498931
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide
CID 70250449

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide (CID 130413037) is N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(O)C(C)(C)O2)cc1.
What is the InChIKey of N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide?
The InChIKey is LBJHAJMGKICXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O5/c1-20(35)34(21(2)36)26-15-10-24(11-16-26)30-29(31(37)32(3,4)39-30)23-12-17-27(18-13-23)38-19-25-14-9-22-7-5-6-8-28(22)33-25/h5-18,31,37H,19H2,1-4H3.
What are the key properties of N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide?
N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide has a molecular weight of 522.60 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[3-hydroxy-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]-3H-furan-5-yl]phenyl]acetamide is sourced from PubChem (CID 130413037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).