tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate

C23H33N3O3 — CID 31862587

IUPACtert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)Cc2c[nH]c3ccccc23)CCCCCC1
InChIInChI=1S/C23H33N3O3/c1-22(2,3)29-21(28)26-23(12-8-4-5-9-13-23)16-25-20(27)14-17-15-24-19-11-7-6-10-18(17)19/h6-7,10-11,15,24H,4-5,8-9,12-14,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJYPZMSQBLHPMHS-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.44
Rot. Bonds5

About tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate

tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate (PubChem CID 31862587) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate
PubChem CID31862587
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Nametert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)Cc2c[nH]c3ccccc23)CCCCCC1
InChIInChI=1S/C23H33N3O3/c1-22(2,3)29-21(28)26-23(12-8-4-5-9-13-23)16-25-20(27)14-17-15-24-19-11-7-6-10-18(17)19/h6-7,10-11,15,24H,4-5,8-9,12-14,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJYPZMSQBLHPMHS-UHFFFAOYSA-N
XLogP4.44
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]cycloheptyl]carbamate
CID 55620325
[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
CID 67668507
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
CID 71851484
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
CID 60545517
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
CID 54016273
tert-butyl N-[1-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]cycloheptyl]carbamate
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N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
CID 103991132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate (CID 31862587) is tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1(CNC(=O)Cc2c[nH]c3ccccc23)CCCCCC1.
What is the InChIKey of tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate?
The InChIKey is JYPZMSQBLHPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-22(2,3)29-21(28)26-23(12-8-4-5-9-13-23)16-25-20(27)14-17-15-24-19-11-7-6-10-18(17)19/h6-7,10-11,15,24H,4-5,8-9,12-14,16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate?
tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate has a molecular weight of 399.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate is sourced from PubChem (CID 31862587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).