[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate

C13H15NO4 — CID 102225499

IUPAC[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCN(C=O)COC(=O)CC1COc2ccccc21
InChIInChI=1S/C13H15NO4/c1-14(8-15)9-18-13(16)6-10-7-17-12-5-3-2-4-11(10)12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyFNTBYRNCIKQCSI-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.14
Rot. Bonds5

About [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate

[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate (PubChem CID 102225499) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
PubChem CID102225499
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCN(C=O)COC(=O)CC1COc2ccccc21
InChIInChI=1S/C13H15NO4/c1-14(8-15)9-18-13(16)6-10-7-17-12-5-3-2-4-11(10)12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyFNTBYRNCIKQCSI-UHFFFAOYSA-N
XLogP1.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
methyl (2S)-2-(N-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]anilino)propanoate
CID 70369283
3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
CID 166305920
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 110753812
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
CID 79229255

Frequently Asked Questions

What is the IUPAC name of [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate?
The IUPAC name of [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate (CID 102225499) is [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate?
The canonical SMILES for [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate is CN(C=O)COC(=O)CC1COc2ccccc21.
What is the InChIKey of [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate?
The InChIKey is FNTBYRNCIKQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14(8-15)9-18-13(16)6-10-7-17-12-5-3-2-4-11(10)12/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate?
[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 102225499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).