N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide

C28H39N3O3 — CID 41236345

IUPACN-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C28H39N3O3/c32-26(18-21-19-29-25-14-6-5-13-24(21)25)31(20-23-12-9-17-34-23)28(15-7-2-8-16-28)27(33)30-22-10-3-1-4-11-22/h5-6,13-14,19,22-23,29H,1-4,7-12,15-18,20H2,(H,30,33)/t23-/m0/s1
InChIKeyQFOIJXURBQKUIN-QHCPKHFHSA-N
MW465.64 g/mol
LogP4.87
Rot. Bonds7

About N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide

N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide (PubChem CID 41236345) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide
PubChem CID41236345
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C28H39N3O3/c32-26(18-21-19-29-25-14-6-5-13-24(21)25)31(20-23-12-9-17-34-23)28(15-7-2-8-16-28)27(33)30-22-10-3-1-4-11-22/h5-6,13-14,19,22-23,29H,1-4,7-12,15-18,20H2,(H,30,33)/t23-/m0/s1
InChIKeyQFOIJXURBQKUIN-QHCPKHFHSA-N
XLogP4.87
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
CID 4992266
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 40829015
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 3993913
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7287931
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide (CID 41236345) is N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide is O=C(Cc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QFOIJXURBQKUIN-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H39N3O3/c32-26(18-21-19-29-25-14-6-5-13-24(21)25)31(20-23-12-9-17-34-23)28(15-7-2-8-16-28)27(33)30-22-10-3-1-4-11-22/h5-6,13-14,19,22-23,29H,1-4,7-12,15-18,20H2,(H,30,33)/t23-/m0/s1.
What are the key properties of N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide?
N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 41236345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).