methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate

C24H23NO5 — CID 22724995

IUPACmethyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(C)=C/c1ccc2ccccc2c1
InChIInChI=1S/C24H23NO5/c1-15(11-16-9-10-17-7-5-6-8-18(17)12-16)23(26)25-20-14-22(29-3)21(28-2)13-19(20)24(27)30-4/h5-14H,1-4H3,(H,25,26)/b15-11+
InChIKeyQUUHRQMFBZCZAR-RVDMUPIBSA-N
MW405.45 g/mol
LogP4.69
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate (PubChem CID 22724995) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate
PubChem CID22724995
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(C)=C/c1ccc2ccccc2c1
InChIInChI=1S/C24H23NO5/c1-15(11-16-9-10-17-7-5-6-8-18(17)12-16)23(26)25-20-14-22(29-3)21(28-2)13-19(20)24(27)30-4/h5-14H,1-4H3,(H,25,26)/b15-11+
InChIKeyQUUHRQMFBZCZAR-RVDMUPIBSA-N
XLogP4.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoic acid
CID 146175455
methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
(E)-2-methyl-N-(3-methyl-4-pyridinyl)-3-naphthalen-2-ylprop-2-enamide
CID 146177862
N-[2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11771496
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
2-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 71299863
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 84575847
(E)-2-cyclohexyl-N-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-enamide
CID 134920375
N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
CID 102225062
(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 84575680
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate (CID 22724995) is methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(C)=C/c1ccc2ccccc2c1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate?
The InChIKey is QUUHRQMFBZCZAR-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H23NO5/c1-15(11-16-9-10-17-7-5-6-8-18(17)12-16)23(26)25-20-14-22(29-3)21(28-2)13-19(20)24(27)30-4/h5-14H,1-4H3,(H,25,26)/b15-11+.
What are the key properties of methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate has a molecular weight of 405.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate is sourced from PubChem (CID 22724995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).