5-amino-N-octan-2-yl-1H-indole-3-carboxamide

C17H25N3O — CID 63116814

IUPAC5-amino-N-octan-2-yl-1H-indole-3-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C17H25N3O/c1-3-4-5-6-7-12(2)20-17(21)15-11-19-16-9-8-13(18)10-14(15)16/h8-12,19H,3-7,18H2,1-2H3,(H,20,21)
InChIKeyJZQPXQXXIUWDKI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.84
Rot. Bonds7

About 5-amino-N-octan-2-yl-1H-indole-3-carboxamide

5-amino-N-octan-2-yl-1H-indole-3-carboxamide (PubChem CID 63116814) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-amino-N-octan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-octan-2-yl-1H-indole-3-carboxamide
PubChem CID63116814
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-amino-N-octan-2-yl-1H-indole-3-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C17H25N3O/c1-3-4-5-6-7-12(2)20-17(21)15-11-19-16-9-8-13(18)10-14(15)16/h8-12,19H,3-7,18H2,1-2H3,(H,20,21)
InChIKeyJZQPXQXXIUWDKI-UHFFFAOYSA-N
XLogP3.84
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
CID 106281055
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
CID 61476113
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-octan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-octan-2-yl-1H-indole-3-carboxamide (CID 63116814) is 5-amino-N-octan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-octan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-octan-2-yl-1H-indole-3-carboxamide is CCCCCCC(C)NC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-octan-2-yl-1H-indole-3-carboxamide?
The InChIKey is JZQPXQXXIUWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-4-5-6-7-12(2)20-17(21)15-11-19-16-9-8-13(18)10-14(15)16/h8-12,19H,3-7,18H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-octan-2-yl-1H-indole-3-carboxamide?
5-amino-N-octan-2-yl-1H-indole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-octan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 63116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).