tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate

C22H31N3O3 — CID 135170778

IUPACtert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H31N3O3/c1-5-25(20(26)19-13-15-9-6-7-12-18(15)24-19)17-11-8-10-16(14-17)23-21(27)28-22(2,3)4/h6-7,9,12-13,16-17,24H,5,8,10-11,14H2,1-4H3,(H,23,27)/t16-,17+/m1/s1
InChIKeyTXSYTTIERRGPLJ-SJORKVTESA-N
MW385.51 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate (PubChem CID 135170778) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
PubChem CID135170778
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nametert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H31N3O3/c1-5-25(20(26)19-13-15-9-6-7-12-18(15)24-19)17-11-8-10-16(14-17)23-21(27)28-22(2,3)4/h6-7,9,12-13,16-17,24H,5,8,10-11,14H2,1-4H3,(H,23,27)/t16-,17+/m1/s1
InChIKeyTXSYTTIERRGPLJ-SJORKVTESA-N
XLogP4.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]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

benzyl N-[(1R,3S)-3-[ethyl-(5-fluoro-1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 155602379
N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076790
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 161347630
N-ethyl-N-[(1S)-3-(pyrimidin-2-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide
CID 155076942
N-ethyl-N-[(1S,3R)-3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135156924

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate (CID 135170778) is tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate?
The InChIKey is TXSYTTIERRGPLJ-SJORKVTESA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-25(20(26)19-13-15-9-6-7-12-18(15)24-19)17-11-8-10-16(14-17)23-21(27)28-22(2,3)4/h6-7,9,12-13,16-17,24H,5,8,10-11,14H2,1-4H3,(H,23,27)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate has a molecular weight of 385.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 135170778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).