(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

C22H21NO3 — CID 46524786

IUPAC(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc2cc(CNC(=O)/C=C/c3ccccc3OC)ccc2c1
InChIInChI=1S/C22H21NO3/c1-25-20-11-9-18-13-16(7-8-19(18)14-20)15-23-22(24)12-10-17-5-3-4-6-21(17)26-2/h3-14H,15H2,1-2H3,(H,23,24)/b12-10+
InChIKeySRNPAFOFZLKOGR-ZRDIBKRKSA-N
MW347.41 g/mol
LogP4.19
Rot. Bonds6

About (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 46524786) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID46524786
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc2cc(CNC(=O)/C=C/c3ccccc3OC)ccc2c1
InChIInChI=1S/C22H21NO3/c1-25-20-11-9-18-13-16(7-8-19(18)14-20)15-23-22(24)12-10-17-5-3-4-6-21(17)26-2/h3-14H,15H2,1-2H3,(H,23,24)/b12-10+
InChIKeySRNPAFOFZLKOGR-ZRDIBKRKSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
(E)-N-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55596614
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
(E)-3-(2-methoxyphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933916

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 46524786) is (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccc2cc(CNC(=O)/C=C/c3ccccc3OC)ccc2c1.
What is the InChIKey of (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is SRNPAFOFZLKOGR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-20-11-9-18-13-16(7-8-19(18)14-20)15-23-22(24)12-10-17-5-3-4-6-21(17)26-2/h3-14H,15H2,1-2H3,(H,23,24)/b12-10+.
What are the key properties of (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 347.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46524786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).