benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate

C21H25NO3 — CID 91121608

IUPACbenzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1Cc2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C21H25NO3/c1-21(2,3)17-12-8-11-16-13-18(25-19(16)17)22(4)20(23)24-14-15-9-6-5-7-10-15/h5-12,18H,13-14H2,1-4H3
InChIKeyKLGCPCKVKMJWDH-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.51
Rot. Bonds3

About benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate

benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate (PubChem CID 91121608) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate
PubChem CID91121608
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Namebenzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1Cc2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C21H25NO3/c1-21(2,3)17-12-8-11-16-13-18(25-19(16)17)22(4)20(23)24-14-15-9-6-5-7-10-15/h5-12,18H,13-14H2,1-4H3
InChIKeyKLGCPCKVKMJWDH-UHFFFAOYSA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(5-chloro-4-methyl-7-propan-2-yl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate
CID 91009635
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163274863
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146

Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate?
The IUPAC name of benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate (CID 91121608) is benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1Cc2cccc(C(C)(C)C)c2O1.
What is the InChIKey of benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate?
The InChIKey is KLGCPCKVKMJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)17-12-8-11-16-13-18(25-19(16)17)22(4)20(23)24-14-15-9-6-5-7-10-15/h5-12,18H,13-14H2,1-4H3.
What are the key properties of benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate?
benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate has a molecular weight of 339.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-N-methylcarbamate is sourced from PubChem (CID 91121608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).