tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate

C16H21NO3 — CID 118875925

IUPACtert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
SMILESCN(Cc1ccc2c(c1)CCC2=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17(4)10-11-5-7-13-12(9-11)6-8-14(13)18/h5,7,9H,6,8,10H2,1-4H3
InChIKeyDSPRMPZEUJYBSA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate

tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate (PubChem CID 118875925) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
PubChem CID118875925
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nametert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
SMILESCN(Cc1ccc2c(c1)CCC2=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17(4)10-11-5-7-13-12(9-11)6-8-14(13)18/h5,7,9H,6,8,10H2,1-4H3
InChIKeyDSPRMPZEUJYBSA-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[[3-(2-tert-butylsilyloxypropan-2-yl)-4-chlorophenyl]methyl]-N-methylcarbamate
CID 131728336
2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
2-(1-oxo-2,3-dihydroinden-5-yl)ethanethioic S-acid
CID 57468297
tert-butyl N-[(3-ethynyl-4-fluorophenyl)methyl]-N-methylcarbamate
CID 176508120
methyl 2-amino-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58018330
chloro-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenoxy]-sulfanylidenephosphanium
CID 171418956
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
tert-butyl N-[[4-(cyanomethylcarbamoyl)phenyl]methyl]-N-methylcarbamate
CID 20601543
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385087

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate (CID 118875925) is tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate is CN(Cc1ccc2c(c1)CCC2=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate?
The InChIKey is DSPRMPZEUJYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17(4)10-11-5-7-13-12(9-11)6-8-14(13)18/h5,7,9H,6,8,10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate is sourced from PubChem (CID 118875925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).