N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide

C22H21NO3 — CID 11244951

IUPACN-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide
SMILESCOc1cc(/C=C\c2ccc3ccccc3c2)cc(NC(C)=O)c1OC
InChIInChI=1S/C22H21NO3/c1-15(24)23-20-13-17(14-21(25-2)22(20)26-3)9-8-16-10-11-18-6-4-5-7-19(18)12-16/h4-14H,1-3H3,(H,23,24)/b9-8-
InChIKeyFTFGEZDIWLCNNA-HJWRWDBZSA-N
MW347.41 g/mol
LogP4.99
Rot. Bonds5

About N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide

N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide (PubChem CID 11244951) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide
PubChem CID11244951
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide
SMILESCOc1cc(/C=C\c2ccc3ccccc3c2)cc(NC(C)=O)c1OC
InChIInChI=1S/C22H21NO3/c1-15(24)23-20-13-17(14-21(25-2)22(20)26-3)9-8-16-10-11-18-6-4-5-7-19(18)12-16/h4-14H,1-3H3,(H,23,24)/b9-8-
InChIKeyFTFGEZDIWLCNNA-HJWRWDBZSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide?
The IUPAC name of N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide (CID 11244951) is N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide.
What is the SMILES notation for N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide?
The canonical SMILES for N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide is COc1cc(/C=C\c2ccc3ccccc3c2)cc(NC(C)=O)c1OC.
What is the InChIKey of N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide?
The InChIKey is FTFGEZDIWLCNNA-HJWRWDBZSA-N. The full InChI is InChI=1S/C22H21NO3/c1-15(24)23-20-13-17(14-21(25-2)22(20)26-3)9-8-16-10-11-18-6-4-5-7-19(18)12-16/h4-14H,1-3H3,(H,23,24)/b9-8-.
What are the key properties of N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide?
N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide has a molecular weight of 347.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 11244951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).