2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide

C20H28N4O3 — CID 123589698

IUPAC2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide
SMILESCOCCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C20H28N4O3/c1-24(20(26)13-6-4-3-5-7-13)14-8-9-15-16(12-14)23-18(21)17(15)19(25)22-10-11-27-2/h8-9,12-13,23H,3-7,10-11,21H2,1-2H3,(H,22,25)
InChIKeyUHZGUFFFJLSYNR-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.67
Rot. Bonds6

About 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide

2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide (PubChem CID 123589698) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide
PubChem CID123589698
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide
SMILESCOCCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C20H28N4O3/c1-24(20(26)13-6-4-3-5-7-13)14-8-9-15-16(12-14)23-18(21)17(15)19(25)22-10-11-27-2/h8-9,12-13,23H,3-7,10-11,21H2,1-2H3,(H,22,25)
InChIKeyUHZGUFFFJLSYNR-UHFFFAOYSA-N
XLogP2.67
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide (CID 123589698) is 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide is COCCNC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12.
What is the InChIKey of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide?
The InChIKey is UHZGUFFFJLSYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-24(20(26)13-6-4-3-5-7-13)14-8-9-15-16(12-14)23-18(21)17(15)19(25)22-10-11-27-2/h8-9,12-13,23H,3-7,10-11,21H2,1-2H3,(H,22,25).
What are the key properties of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide?
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 123589698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).