methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate

C25H26N2O4 — CID 71186080

IUPACmethyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N3CCOCC3)c3c(C)cccc23)c1C
InChIInChI=1S/C25H26N2O4/c1-16-6-4-8-19-22(26-21-9-5-7-18(17(21)2)25(29)30-3)11-10-20(23(16)19)24(28)27-12-14-31-15-13-27/h4-11,26H,12-15H2,1-3H3
InChIKeyLKHWBFSFNIRJNS-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.46
Rot. Bonds4

About methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate

methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate (PubChem CID 71186080) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
PubChem CID71186080
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namemethyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N3CCOCC3)c3c(C)cccc23)c1C
InChIInChI=1S/C25H26N2O4/c1-16-6-4-8-19-22(26-21-9-5-7-18(17(21)2)25(29)30-3)11-10-20(23(16)19)24(28)27-12-14-31-15-13-27/h4-11,26H,12-15H2,1-3H3
InChIKeyLKHWBFSFNIRJNS-UHFFFAOYSA-N
XLogP4.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate (CID 71186080) is methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)N3CCOCC3)c3c(C)cccc23)c1C.
What is the InChIKey of methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate?
The InChIKey is LKHWBFSFNIRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-16-6-4-8-19-22(26-21-9-5-7-18(17(21)2)25(29)30-3)11-10-20(23(16)19)24(28)27-12-14-31-15-13-27/h4-11,26H,12-15H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate?
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate has a molecular weight of 418.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate is sourced from PubChem (CID 71186080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).