5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide

C17H23N3O — CID 62056992

IUPAC5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCCC3CCCCC3)cc2c1
InChIInChI=1S/C17H23N3O/c18-14-6-7-15-13(10-14)11-16(20-15)17(21)19-9-8-12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9,18H2,(H,19,21)
InChIKeyYAKMOCBTIIROKK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.45
Rot. Bonds4

About 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide

5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide (PubChem CID 62056992) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
PubChem CID62056992
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCCC3CCCCC3)cc2c1
InChIInChI=1S/C17H23N3O/c18-14-6-7-15-13(10-14)11-16(20-15)17(21)19-9-8-12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9,18H2,(H,19,21)
InChIKeyYAKMOCBTIIROKK-UHFFFAOYSA-N
XLogP3.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 107294763
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
N-(2-piperidin-3-ylethyl)-1H-indole-2-carboxamide
CID 63628878
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide (CID 62056992) is 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCCC3CCCCC3)cc2c1.
What is the InChIKey of 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The InChIKey is YAKMOCBTIIROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-14-6-7-15-13(10-14)11-16(20-15)17(21)19-9-8-12-4-2-1-3-5-12/h6-7,10-12,20H,1-5,8-9,18H2,(H,19,21).
What are the key properties of 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62056992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).