N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide

C24H41N5O2 — CID 11456998

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide
SMILESCCCC(=O)NC1(C(=O)NCCCNCCCCNCCCN)Cc2ccccc2C1
InChIInChI=1S/C24H41N5O2/c1-2-9-22(30)29-24(18-20-10-3-4-11-21(20)19-24)23(31)28-17-8-16-27-14-6-5-13-26-15-7-12-25/h3-4,10-11,26-27H,2,5-9,12-19,25H2,1H3,(H,28,31)(H,29,30)
InChIKeyPLLRWQNLMBFRBQ-UHFFFAOYSA-N
MW431.63 g/mol
LogP1.25
Rot. Bonds16

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide (PubChem CID 11456998) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide
PubChem CID11456998
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide
SMILESCCCC(=O)NC1(C(=O)NCCCNCCCCNCCCN)Cc2ccccc2C1
InChIInChI=1S/C24H41N5O2/c1-2-9-22(30)29-24(18-20-10-3-4-11-21(20)19-24)23(31)28-17-8-16-27-14-6-5-13-26-15-7-12-25/h3-4,10-11,26-27H,2,5-9,12-19,25H2,1H3,(H,28,31)(H,29,30)
InChIKeyPLLRWQNLMBFRBQ-UHFFFAOYSA-N
XLogP1.25
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide (CID 11456998) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide is CCCC(=O)NC1(C(=O)NCCCNCCCCNCCCN)Cc2ccccc2C1.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide?
The InChIKey is PLLRWQNLMBFRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-2-9-22(30)29-24(18-20-10-3-4-11-21(20)19-24)23(31)28-17-8-16-27-14-6-5-13-26-15-7-12-25/h3-4,10-11,26-27H,2,5-9,12-19,25H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide has a molecular weight of 431.63 g/mol, XLogP of 1.25, 16 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 11456998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).