6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide

C16H23N3O — CID 61259839

IUPAC6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c17-10-5-1-2-8-16(20)18-11-9-13-12-19-15-7-4-3-6-14(13)15/h3-4,6-7,12,19H,1-2,5,8-11,17H2,(H,18,20)
InChIKeyYPTYBHGWMRKCBK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds8

About 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide

6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 61259839) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID61259839
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c17-10-5-1-2-8-16(20)18-11-9-13-12-19-15-7-4-3-6-14(13)15/h3-4,6-7,12,19H,1-2,5,8-11,17H2,(H,18,20)
InChIKeyYPTYBHGWMRKCBK-UHFFFAOYSA-N
XLogP2.35
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
3-(1H-indol-3-yl)-N-pentylpropanamide;3-(1H-indol-3-yl)propanoic acid;pentan-1-amine
CID 159813673

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 61259839) is 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide is NCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is YPTYBHGWMRKCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-10-5-1-2-8-16(20)18-11-9-13-12-19-15-7-4-3-6-14(13)15/h3-4,6-7,12,19H,1-2,5,8-11,17H2,(H,18,20).
What are the key properties of 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 273.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 61259839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).