benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate

C20H21NO3 — CID 175480088

IUPACbenzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)c1cccc2ccoc12
InChIInChI=1S/C20H21NO3/c1-20(2,3)21(17-11-7-10-16-12-13-23-18(16)17)19(22)24-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3
InChIKeyUOXNCRRTIZIGKI-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.37
Rot. Bonds3

About benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate

benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate (PubChem CID 175480088) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate.

Molecular Properties

Compound Namebenzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate
PubChem CID175480088
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namebenzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)c1cccc2ccoc12
InChIInChI=1S/C20H21NO3/c1-20(2,3)21(17-11-7-10-16-12-13-23-18(16)17)19(22)24-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3
InChIKeyUOXNCRRTIZIGKI-UHFFFAOYSA-N
XLogP5.37
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-7-yl N-benzyl-N-tert-butylcarbamate
CID 175480089
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084
benzyl N-tert-butyl-N-[(2R)-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 57150767
(2S)-2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoic acid
CID 18638332
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
4-(1-benzofuran-7-yl)-2-benzyl-2-hydroxy-4-methylpentanoic acid
CID 22284921
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
CID 54412250
benzyl methylphosphanylformate
CID 146418354
benzyl N-acetyl-N-aminocarbamate
CID 67604274

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate?
The IUPAC name of benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate (CID 175480088) is benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate.
What is the SMILES notation for benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate?
The canonical SMILES for benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate is CC(C)(C)N(C(=O)OCc1ccccc1)c1cccc2ccoc12.
What is the InChIKey of benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate?
The InChIKey is UOXNCRRTIZIGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,3)21(17-11-7-10-16-12-13-23-18(16)17)19(22)24-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3.
What are the key properties of benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate?
benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate has a molecular weight of 323.39 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-benzofuran-7-yl)-N-tert-butylcarbamate is sourced from PubChem (CID 175480088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).