benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate

C21H24N2O5 — CID 20531248

IUPACbenzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)C(NC(=O)OCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H24N2O5/c1-26-12-10-22-20(24)19(17-7-8-18-16(13-17)9-11-27-18)23-21(25)28-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyJRZLIFMCUFWMOL-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.35
Rot. Bonds8

About benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate

benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate (PubChem CID 20531248) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate
PubChem CID20531248
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namebenzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)C(NC(=O)OCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H24N2O5/c1-26-12-10-22-20(24)19(17-7-8-18-16(13-17)9-11-27-18)23-21(25)28-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyJRZLIFMCUFWMOL-UHFFFAOYSA-N
XLogP2.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]amino]-2-oxo-1-propan-2-ylsulfanylethyl]carbamate
CID 44764573
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
(2S)-3-(3,4-dihydro-2H-chromen-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 155588186
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
CID 55084367
methyl (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3-methoxyphenyl)methylamino]acetate
CID 124621483
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetamide
CID 62540820
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129468755
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate (CID 20531248) is benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate is COCCNC(=O)C(NC(=O)OCc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The InChIKey is JRZLIFMCUFWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-12-10-22-20(24)19(17-7-8-18-16(13-17)9-11-27-18)23-21(25)28-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate has a molecular weight of 384.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 20531248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).