benzyl 2-(2H-chromene-3-carbonylamino)acetate

C19H17NO4 — CID 26646466

IUPACbenzyl 2-(2H-chromene-3-carbonylamino)acetate
SMILESO=C(CNC(=O)C1=Cc2ccccc2OC1)OCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18(24-12-14-6-2-1-3-7-14)11-20-19(22)16-10-15-8-4-5-9-17(15)23-13-16/h1-10H,11-13H2,(H,20,22)
InChIKeyCJLVPGAGTJLYAT-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.32
Rot. Bonds5

About benzyl 2-(2H-chromene-3-carbonylamino)acetate

benzyl 2-(2H-chromene-3-carbonylamino)acetate (PubChem CID 26646466) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl 2-(2H-chromene-3-carbonylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(2H-chromene-3-carbonylamino)acetate
PubChem CID26646466
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl 2-(2H-chromene-3-carbonylamino)acetate
SMILESO=C(CNC(=O)C1=Cc2ccccc2OC1)OCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18(24-12-14-6-2-1-3-7-14)11-20-19(22)16-10-15-8-4-5-9-17(15)23-13-16/h1-10H,11-13H2,(H,20,22)
InChIKeyCJLVPGAGTJLYAT-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-methyl-2H-chromene-3-carboxamide
CID 13029267
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
CID 41412635
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2H-chromene-3-carboxamide
CID 51253530
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2H-chromene-3-carbonylamino)acetate?
The IUPAC name of benzyl 2-(2H-chromene-3-carbonylamino)acetate (CID 26646466) is benzyl 2-(2H-chromene-3-carbonylamino)acetate.
What is the SMILES notation for benzyl 2-(2H-chromene-3-carbonylamino)acetate?
The canonical SMILES for benzyl 2-(2H-chromene-3-carbonylamino)acetate is O=C(CNC(=O)C1=Cc2ccccc2OC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2H-chromene-3-carbonylamino)acetate?
The InChIKey is CJLVPGAGTJLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18(24-12-14-6-2-1-3-7-14)11-20-19(22)16-10-15-8-4-5-9-17(15)23-13-16/h1-10H,11-13H2,(H,20,22).
What are the key properties of benzyl 2-(2H-chromene-3-carbonylamino)acetate?
benzyl 2-(2H-chromene-3-carbonylamino)acetate has a molecular weight of 323.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2H-chromene-3-carbonylamino)acetate is sourced from PubChem (CID 26646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).