methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate

C25H25NO3 — CID 91356613

IUPACmethyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3C)c2O1
InChIInChI=1S/C25H25NO3/c1-18-9-6-7-13-22(18)23-14-8-12-20-15-21(29-24(20)23)17-26(25(27)28-2)16-19-10-4-3-5-11-19/h3-14,21H,15-17H2,1-2H3
InChIKeyAMCOXNNECJEEJK-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.23
Rot. Bonds5

About methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate

methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate (PubChem CID 91356613) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
PubChem CID91356613
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namemethyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3C)c2O1
InChIInChI=1S/C25H25NO3/c1-18-9-6-7-13-22(18)23-14-8-12-20-15-21(29-24(20)23)17-26(25(27)28-2)16-19-10-4-3-5-11-19/h3-14,21H,15-17H2,1-2H3
InChIKeyAMCOXNNECJEEJK-UHFFFAOYSA-N
XLogP5.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate with MolForge

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Related Compounds

benzyl-[[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 68964247
benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 68964344
[1-[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-3-phenylpropan-2-yl]carbamic acid
CID 68963634
benzyl-[[7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 69108251
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl N-benzyl-N-methylcarbamate
CID 91158705
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid
CID 68963532
3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42212363
1-benzyl-3-ethyl-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816149
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate?
The IUPAC name of methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate (CID 91356613) is methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate is COC(=O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3C)c2O1.
What is the InChIKey of methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate?
The InChIKey is AMCOXNNECJEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18-9-6-7-13-22(18)23-14-8-12-20-15-21(29-24(20)23)17-26(25(27)28-2)16-19-10-4-3-5-11-19/h3-14,21H,15-17H2,1-2H3.
What are the key properties of methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate?
methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate is sourced from PubChem (CID 91356613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).