tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate

C28H31N3O3 — CID 170075780

IUPACtert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate
SMILESCN(C)C(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C28H31N3O3/c1-28(2,3)34-27(33)29-17-24-25(26(32)30(4)5)22-15-14-19(16-23(22)31(24)6)21-13-9-11-18-10-7-8-12-20(18)21/h7-16H,17H2,1-6H3,(H,29,33)
InChIKeyGDQMDYLNXZAOLO-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.72
Rot. Bonds4

About tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate

tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate (PubChem CID 170075780) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate
PubChem CID170075780
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Nametert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate
SMILESCN(C)C(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C28H31N3O3/c1-28(2,3)34-27(33)29-17-24-25(26(32)30(4)5)22-15-14-19(16-23(22)31(24)6)21-13-9-11-18-10-7-8-12-20(18)21/h7-16H,17H2,1-6H3,(H,29,33)
InChIKeyGDQMDYLNXZAOLO-UHFFFAOYSA-N
XLogP5.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-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

tert-butyl N-methyl-N-[[1-methyl-3-(methylcarbamoyl)-6-naphthalen-1-ylindol-2-yl]methyl]carbamate
CID 170075763
tert-butyl N-[[1-(benzenesulfonyl)-5-naphthalen-1-ylindol-3-yl]methyl]carbamate
CID 70053570
ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-naphthalen-1-yl-1-benzothiophene-3-carboxylate
CID 170076121
3-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-naphthalen-1-ylindol-1-yl]methyl]benzoic acid
CID 70052393
methyl 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoate
CID 68634329
tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
CID 107241393
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate (CID 170075780) is tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate is CN(C)C(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4ccccc34)ccc12.
What is the InChIKey of tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate?
The InChIKey is GDQMDYLNXZAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-28(2,3)34-27(33)29-17-24-25(26(32)30(4)5)22-15-14-19(16-23(22)31(24)6)21-13-9-11-18-10-7-8-12-20(18)21/h7-16H,17H2,1-6H3,(H,29,33).
What are the key properties of tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate?
tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate has a molecular weight of 457.57 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(dimethylcarbamoyl)-1-methyl-6-naphthalen-1-ylindol-2-yl]methyl]carbamate is sourced from PubChem (CID 170075780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).