tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate

C25H32N2O3 — CID 67165618

IUPACtert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cccc2c(CCN(Cc3cccc(CCO)c3)C(=O)OC(C)(C)C)c[nH]c12
InChIInChI=1S/C25H32N2O3/c1-18-7-5-10-22-21(16-26-23(18)22)11-13-27(24(29)30-25(2,3)4)17-20-9-6-8-19(15-20)12-14-28/h5-10,15-16,26,28H,11-14,17H2,1-4H3
InChIKeyCTBGLVPIPCVDES-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.99
Rot. Bonds7

About tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 67165618) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID67165618
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nametert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cccc2c(CCN(Cc3cccc(CCO)c3)C(=O)OC(C)(C)C)c[nH]c12
InChIInChI=1S/C25H32N2O3/c1-18-7-5-10-22-21(16-26-23(18)22)11-13-27(24(29)30-25(2,3)4)17-20-9-6-8-19(15-20)12-14-28/h5-10,15-16,26,28H,11-14,17H2,1-4H3
InChIKeyCTBGLVPIPCVDES-UHFFFAOYSA-N
XLogP4.99
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 122388919
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
tert-butyl N-[(4-bromo-3-methylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 70935034
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338
4-[[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-methylbenzoic acid
CID 134181838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate (CID 67165618) is tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate is Cc1cccc2c(CCN(Cc3cccc(CCO)c3)C(=O)OC(C)(C)C)c[nH]c12.
What is the InChIKey of tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is CTBGLVPIPCVDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18-7-5-10-22-21(16-26-23(18)22)11-13-27(24(29)30-25(2,3)4)17-20-9-6-8-19(15-20)12-14-28/h5-10,15-16,26,28H,11-14,17H2,1-4H3.
What are the key properties of tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 408.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-hydroxyethyl)phenyl]methyl]-N-[2-(7-methyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 67165618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).