N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide

C21H41N5O3 — CID 70805773

IUPACN-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide
SMILESNCCCNCCCCNCCCNC(=O)CCCCCNC(=O)C1CC=CO1
InChIInChI=1S/C21H41N5O3/c22-11-7-14-23-12-4-5-13-24-15-8-17-25-20(27)10-2-1-3-16-26-21(28)19-9-6-18-29-19/h6,18-19,23-24H,1-5,7-17,22H2,(H,25,27)(H,26,28)
InChIKeyBGBDAHMQKBXHDK-UHFFFAOYSA-N
MW411.59 g/mol
LogP0.78
Rot. Bonds19

About N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide

N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide (PubChem CID 70805773) has the molecular formula C21H41N5O3 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide
PubChem CID70805773
Molecular FormulaC21H41N5O3
Molecular Weight411.59 g/mol
Exact Mass411.32
IUPAC NameN-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide
SMILESNCCCNCCCCNCCCNC(=O)CCCCCNC(=O)C1CC=CO1
InChIInChI=1S/C21H41N5O3/c22-11-7-14-23-12-4-5-13-24-15-8-17-25-20(27)10-2-1-3-16-26-21(28)19-9-6-18-29-19/h6,18-19,23-24H,1-5,7-17,22H2,(H,25,27)(H,26,28)
InChIKeyBGBDAHMQKBXHDK-UHFFFAOYSA-N
XLogP0.78
TPSA117.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide (CID 70805773) is N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide is NCCCNCCCCNCCCNC(=O)CCCCCNC(=O)C1CC=CO1.
What is the InChIKey of N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide?
The InChIKey is BGBDAHMQKBXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O3/c22-11-7-14-23-12-4-5-13-24-15-8-17-25-20(27)10-2-1-3-16-26-21(28)19-9-6-18-29-19/h6,18-19,23-24H,1-5,7-17,22H2,(H,25,27)(H,26,28).
What are the key properties of N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide?
N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 0.78, 19 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 70805773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).