benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate

C23H21NO3 — CID 86601824

IUPACbenzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
SMILESO=C(NCC1Cc2c(cccc2-c2ccccc2)O1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-23(26-16-17-8-3-1-4-9-17)24-15-19-14-21-20(12-7-13-22(21)27-19)18-10-5-2-6-11-18/h1-13,19H,14-16H2,(H,24,25)
InChIKeyRTLLIGWVGZDVOM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.58
Rot. Bonds5

About benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate

benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate (PubChem CID 86601824) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
PubChem CID86601824
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namebenzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
SMILESO=C(NCC1Cc2c(cccc2-c2ccccc2)O1)OCc1ccccc1
InChIInChI=1S/C23H21NO3/c25-23(26-16-17-8-3-1-4-9-17)24-15-19-14-21-20(12-7-13-22(21)27-19)18-10-5-2-6-11-18/h1-13,19H,14-16H2,(H,24,25)
InChIKeyRTLLIGWVGZDVOM-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599100
benzyl N-(2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethyl)carbamate
CID 86598544
benzyl N-[[7-(2,4,6-trichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599163
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[5-chloro-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599255
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
CID 154726666
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl carbonochloridate;benzyl N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]carbamate;[(2S)-3,4-dihydro-2H-pyran-2-yl]methanol;methane
CID 167557706
benzyl N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 38450481

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate (CID 86601824) is benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate is O=C(NCC1Cc2c(cccc2-c2ccccc2)O1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate?
The InChIKey is RTLLIGWVGZDVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-23(26-16-17-8-3-1-4-9-17)24-15-19-14-21-20(12-7-13-22(21)27-19)18-10-5-2-6-11-18/h1-13,19H,14-16H2,(H,24,25).
What are the key properties of benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate?
benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate is sourced from PubChem (CID 86601824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).