methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate

C22H23NO4 — CID 139932940

IUPACmethyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C(C)(C)C)ccc2OC1
InChIInChI=1S/C22H23NO4/c1-22(2,3)16-9-10-19-14(12-16)11-15(13-27-19)20(24)23-18-8-6-5-7-17(18)21(25)26-4/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyCBITYPNZMNCQDX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.19
Rot. Bonds3

About methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate

methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate (PubChem CID 139932940) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
PubChem CID139932940
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namemethyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=Cc2cc(C(C)(C)C)ccc2OC1
InChIInChI=1S/C22H23NO4/c1-22(2,3)16-9-10-19-14(12-16)11-15(13-27-19)20(24)23-18-8-6-5-7-17(18)21(25)26-4/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyCBITYPNZMNCQDX-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[2-(prop-2-enylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 18090143
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate (CID 139932940) is methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1=Cc2cc(C(C)(C)C)ccc2OC1.
What is the InChIKey of methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate?
The InChIKey is CBITYPNZMNCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2,3)16-9-10-19-14(12-16)11-15(13-27-19)20(24)23-18-8-6-5-7-17(18)21(25)26-4/h5-12H,13H2,1-4H3,(H,23,24).
What are the key properties of methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate?
methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate has a molecular weight of 365.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 139932940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).