2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride

C15H22ClN3O — CID 75973820

IUPAC2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCCCCNC(=O)C(N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-2-3-8-17-15(19)13(16)9-11-10-18-14-7-5-4-6-12(11)14;/h4-7,10,13,18H,2-3,8-9,16H2,1H3,(H,17,19);1H
InChIKeyRMTOHKQZKCUCNZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.38
Rot. Bonds6

About 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride

2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride (PubChem CID 75973820) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
PubChem CID75973820
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCCCCNC(=O)C(N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-2-3-8-17-15(19)13(16)9-11-10-18-14-7-5-4-6-12(11)14;/h4-7,10,13,18H,2-3,8-9,16H2,1H3,(H,17,19);1H
InChIKeyRMTOHKQZKCUCNZ-UHFFFAOYSA-N
XLogP2.38
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.38
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

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfinylpropyl)propanamide
CID 103827627
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride (CID 75973820) is 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride is CCCCNC(=O)C(N)Cc1c[nH]c2ccccc12.Cl.
What is the InChIKey of 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride?
The InChIKey is RMTOHKQZKCUCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-2-3-8-17-15(19)13(16)9-11-10-18-14-7-5-4-6-12(11)14;/h4-7,10,13,18H,2-3,8-9,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride?
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 75973820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).