[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate

C20H19NO5 — CID 142698891

IUPAC[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
SMILESCC(=O)OCC1(C)C=Cc2cc(NC(=O)Oc3ccccc3)ccc2O1
InChIInChI=1S/C20H19NO5/c1-14(22)24-13-20(2)11-10-15-12-16(8-9-18(15)26-20)21-19(23)25-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyYWRKSLOVKNKFCQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.02
Rot. Bonds4

About [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate

[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate (PubChem CID 142698891) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate.

Molecular Properties

Compound Name[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
PubChem CID142698891
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
SMILESCC(=O)OCC1(C)C=Cc2cc(NC(=O)Oc3ccccc3)ccc2O1
InChIInChI=1S/C20H19NO5/c1-14(22)24-13-20(2)11-10-15-12-16(8-9-18(15)26-20)21-19(23)25-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyYWRKSLOVKNKFCQ-UHFFFAOYSA-N
XLogP4.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11502583
[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
CID 11559930
(6-amino-2-methylchromen-2-yl)methyl benzoate
CID 11666500
1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908
butyl 2-[[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]carbamoylamino]acetate
CID 46182337
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl N-(4-amino-3-methanimidoylphenyl)carbamate
CID 167447123

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate?
The IUPAC name of [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate (CID 142698891) is [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate.
What is the SMILES notation for [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate?
The canonical SMILES for [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate is CC(=O)OCC1(C)C=Cc2cc(NC(=O)Oc3ccccc3)ccc2O1.
What is the InChIKey of [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate?
The InChIKey is YWRKSLOVKNKFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-14(22)24-13-20(2)11-10-15-12-16(8-9-18(15)26-20)21-19(23)25-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate?
[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate has a molecular weight of 353.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate is sourced from PubChem (CID 142698891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).