7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride

C17H26ClN3O — CID 75493600

IUPAC7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O.ClH/c18-11-6-2-1-3-9-17(21)19-12-10-14-13-20-16-8-5-4-7-15(14)16;/h4-5,7-8,13,20H,1-3,6,9-12,18H2,(H,19,21);1H
InChIKeyZZTXVFOEQXBABD-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.16
Rot. Bonds9

About 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride

7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride (PubChem CID 75493600) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
PubChem CID75493600
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O.ClH/c18-11-6-2-1-3-9-17(21)19-12-10-14-13-20-16-8-5-4-7-15(14)16;/h4-5,7-8,13,20H,1-3,6,9-12,18H2,(H,19,21);1H
InChIKeyZZTXVFOEQXBABD-UHFFFAOYSA-N
XLogP3.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.16
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

6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
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
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
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
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 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride (CID 75493600) is 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
The InChIKey is ZZTXVFOEQXBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c18-11-6-2-1-3-9-17(21)19-12-10-14-13-20-16-8-5-4-7-15(14)16;/h4-5,7-8,13,20H,1-3,6,9-12,18H2,(H,19,21);1H.
What are the key properties of 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride?
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 75493600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).