5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide

C25H37N3O4 — CID 91635069

IUPAC5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)C3CCCC(OC)C3)ccc2n1CCC(C)C
InChIInChI=1S/C25H37N3O4/c1-17(2)10-12-28-22-9-8-20(27-24(29)18-6-5-7-21(15-18)32-4)14-19(22)16-23(28)25(30)26-11-13-31-3/h8-9,14,16-18,21H,5-7,10-13,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyKNVINPWOSVVAAV-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.21
Rot. Bonds10

About 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide

5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide (PubChem CID 91635069) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
PubChem CID91635069
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)C3CCCC(OC)C3)ccc2n1CCC(C)C
InChIInChI=1S/C25H37N3O4/c1-17(2)10-12-28-22-9-8-20(27-24(29)18-6-5-7-21(15-18)32-4)14-19(22)16-23(28)25(30)26-11-13-31-3/h8-9,14,16-18,21H,5-7,10-13,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyKNVINPWOSVVAAV-UHFFFAOYSA-N
XLogP4.21
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
5-(cyclobutanecarbonylamino)-1-methyl-N-(2-methylpropyl)indole-2-carboxamide
CID 83280459
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
CID 91635045
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
CID 92612806

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide?
The IUPAC name of 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide (CID 91635069) is 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide?
The canonical SMILES for 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide is COCCNC(=O)c1cc2cc(NC(=O)C3CCCC(OC)C3)ccc2n1CCC(C)C.
What is the InChIKey of 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide?
The InChIKey is KNVINPWOSVVAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-17(2)10-12-28-22-9-8-20(27-24(29)18-6-5-7-21(15-18)32-4)14-19(22)16-23(28)25(30)26-11-13-31-3/h8-9,14,16-18,21H,5-7,10-13,15H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide?
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide is sourced from PubChem (CID 91635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).