N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride

C13H18ClN3O — CID 119706198

IUPACN-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-14-8-3-6-13(17)16-12-5-2-4-11-10(12)7-9-15-11;/h2,4-5,7,9,14-15H,3,6,8H2,1H3,(H,16,17);1H
InChIKeyMKNOOEQODJZXGZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.53
Rot. Bonds5

About N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride

N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119706198) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119706198
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-14-8-3-6-13(17)16-12-5-2-4-11-10(12)7-9-15-11;/h2,4-5,7,9,14-15H,3,6,8H2,1H3,(H,16,17);1H
InChIKeyMKNOOEQODJZXGZ-UHFFFAOYSA-N
XLogP2.53
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.53
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

2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
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CID 119747442
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
CID 110472744
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide
CID 112526320
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
CID 141013500
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride (CID 119706198) is N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cccc2[nH]ccc12.Cl.
What is the InChIKey of N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is MKNOOEQODJZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-14-8-3-6-13(17)16-12-5-2-4-11-10(12)7-9-15-11;/h2,4-5,7,9,14-15H,3,6,8H2,1H3,(H,16,17);1H.
What are the key properties of N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride?
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119706198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).