N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide

C26H29N3O2 — CID 71559820

IUPACN-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide
SMILESCCCN1C(=O)c2ccccc2C1(C(=O)NC1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H29N3O2/c1-2-16-29-24(30)20-13-7-8-14-21(20)26(29,25(31)27-19-11-4-3-5-12-19)23-17-18-10-6-9-15-22(18)28-23/h6-10,13-15,17,19,28H,2-5,11-12,16H2,1H3,(H,27,31)
InChIKeyIIBMFXTYWRUIQW-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.73
Rot. Bonds5

About N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide

N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide (PubChem CID 71559820) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide
PubChem CID71559820
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide
SMILESCCCN1C(=O)c2ccccc2C1(C(=O)NC1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H29N3O2/c1-2-16-29-24(30)20-13-7-8-14-21(20)26(29,25(31)27-19-11-4-3-5-12-19)23-17-18-10-6-9-15-22(18)28-23/h6-10,13-15,17,19,28H,2-5,11-12,16H2,1H3,(H,27,31)
InChIKeyIIBMFXTYWRUIQW-UHFFFAOYSA-N
XLogP4.73
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
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(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755
2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756930
(3S)-2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668065
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(3S)-2-benzyl-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92701404
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
CID 154541509
(3S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92734756

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide (CID 71559820) is N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide is CCCN1C(=O)c2ccccc2C1(C(=O)NC1CCCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide?
The InChIKey is IIBMFXTYWRUIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-2-16-29-24(30)20-13-7-8-14-21(20)26(29,25(31)27-19-11-4-3-5-12-19)23-17-18-10-6-9-15-22(18)28-23/h6-10,13-15,17,19,28H,2-5,11-12,16H2,1H3,(H,27,31).
What are the key properties of N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide?
N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1H-indol-2-yl)-3-oxo-2-propylisoindole-1-carboxamide is sourced from PubChem (CID 71559820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).