N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide

C20H30BrN3O3 — CID 20642760

IUPACN-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESNCCCOCCCCOCCCNC(=O)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H30BrN3O3/c21-17-5-6-19-18(14-17)16(15-24-19)13-20(25)23-8-4-12-27-10-2-1-9-26-11-3-7-22/h5-6,14-15,24H,1-4,7-13,22H2,(H,23,25)
InChIKeyUJYCXHPZOSXPLE-UHFFFAOYSA-N
MW440.38 g/mol
LogP3.14
Rot. Bonds14

About N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide

N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide (PubChem CID 20642760) has the molecular formula C20H30BrN3O3 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
PubChem CID20642760
Molecular FormulaC20H30BrN3O3
Molecular Weight440.38 g/mol
Exact Mass439.15
IUPAC NameN-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESNCCCOCCCCOCCCNC(=O)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H30BrN3O3/c21-17-5-6-19-18(14-17)16(15-24-19)13-20(25)23-8-4-12-27-10-2-1-9-26-11-3-7-22/h5-6,14-15,24H,1-4,7-13,22H2,(H,23,25)
InChIKeyUJYCXHPZOSXPLE-UHFFFAOYSA-N
XLogP3.14
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide
CID 71223425
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
3-(5-bromo-1H-indol-3-yl)-2-imino-N-(5-sulfanylpentyl)propanamide
CID 89233953
3-(5-bromo-1H-indol-3-yl)-N-(2-hydroxyethyl)-2-methyliminopropanamide
CID 59324195

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide (CID 20642760) is N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide is NCCCOCCCCOCCCNC(=O)Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The InChIKey is UJYCXHPZOSXPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O3/c21-17-5-6-19-18(14-17)16(15-24-19)13-20(25)23-8-4-12-27-10-2-1-9-26-11-3-7-22/h5-6,14-15,24H,1-4,7-13,22H2,(H,23,25).
What are the key properties of N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide has a molecular weight of 440.38 g/mol, XLogP of 3.14, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide is sourced from PubChem (CID 20642760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).