5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide

C17H21N3O — CID 63116817

IUPAC5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c2c1
InChIInChI=1S/C17H21N3O/c18-13-6-7-16-14(10-13)15(11-20-16)17(21)19-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,20H,1-3,5,8-9,18H2,(H,19,21)
InChIKeyIEWJKENEDYXPGL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.37
Rot. Bonds4

About 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide

5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 63116817) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID63116817
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c2c1
InChIInChI=1S/C17H21N3O/c18-13-6-7-16-14(10-13)15(11-20-16)17(21)19-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,20H,1-3,5,8-9,18H2,(H,19,21)
InChIKeyIEWJKENEDYXPGL-UHFFFAOYSA-N
XLogP3.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206869
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide (CID 63116817) is 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c2c1.
What is the InChIKey of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is IEWJKENEDYXPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-13-6-7-16-14(10-13)15(11-20-16)17(21)19-9-8-12-4-2-1-3-5-12/h4,6-7,10-11,20H,1-3,5,8-9,18H2,(H,19,21).
What are the key properties of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide?
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.37, 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-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).