4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride

C15H23Cl2N3O — CID 119865627

IUPAC4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
SMILESCCCn1ccc2cc(NC(=O)CCCN)ccc21.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12-11-13(5-6-14(12)18)17-15(19)4-3-8-16;;/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,19);2*1H
InChIKeyVEIZUAOPYOIUPE-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.57
Rot. Bonds6

About 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride

4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride (PubChem CID 119865627) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
PubChem CID119865627
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
SMILESCCCn1ccc2cc(NC(=O)CCCN)ccc21.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12-11-13(5-6-14(12)18)17-15(19)4-3-8-16;;/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,19);2*1H
InChIKeyVEIZUAOPYOIUPE-UHFFFAOYSA-N
XLogP3.57
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
CID 49498521
(2S)-2-amino-4-methylsulfanyl-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865579
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
CID 71934971
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride (CID 119865627) is 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride is CCCn1ccc2cc(NC(=O)CCCN)ccc21.Cl.Cl.
What is the InChIKey of 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride?
The InChIKey is VEIZUAOPYOIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12-11-13(5-6-14(12)18)17-15(19)4-3-8-16;;/h5-7,10-11H,2-4,8-9,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride?
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119865627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).