methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate

C16H19NO4 — CID 15832148

IUPACmethyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(C)C)c2c1OCC=C2
InChIInChI=1S/C16H19NO4/c1-16(2,3)15(19)17-12-8-7-11(14(18)20-4)13-10(12)6-5-9-21-13/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyVPJOATURCUIQPC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.86
Rot. Bonds2

About methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate

methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate (PubChem CID 15832148) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
PubChem CID15832148
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(C)(C)C)c2c1OCC=C2
InChIInChI=1S/C16H19NO4/c1-16(2,3)15(19)17-12-8-7-11(14(18)20-4)13-10(12)6-5-9-21-13/h5-8H,9H2,1-4H3,(H,17,19)
InChIKeyVPJOATURCUIQPC-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-chloro-5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
CID 10936218
methyl 5-chloro-2H-chromene-8-carboxylate
CID 47003519
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 2,5-dihydro-1-benzoxepine-9-carboxylate
CID 45043281
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
methyl 2H-1,5-benzodioxepine-6-carboxylate
CID 142276664
methyl 2-[(2,2-dimethyl-3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108959939
methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate?
The IUPAC name of methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate (CID 15832148) is methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate.
What is the SMILES notation for methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate?
The canonical SMILES for methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate is COC(=O)c1ccc(NC(=O)C(C)(C)C)c2c1OCC=C2.
What is the InChIKey of methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate?
The InChIKey is VPJOATURCUIQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(2,3)15(19)17-12-8-7-11(14(18)20-4)13-10(12)6-5-9-21-13/h5-8H,9H2,1-4H3,(H,17,19).
What are the key properties of methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate?
methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate is sourced from PubChem (CID 15832148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).