N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide

C21H34N2O — CID 52937774

IUPACN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide
SMILESCCCCC(=O)NCCCCN(CCC)C1Cc2ccccc2C1
InChIInChI=1S/C21H34N2O/c1-3-5-12-21(24)22-13-8-9-15-23(14-4-2)20-16-18-10-6-7-11-19(18)17-20/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3,(H,22,24)
InChIKeyWLQXVFLJINOZPU-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.95
Rot. Bonds11

About N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide

N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide (PubChem CID 52937774) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide
PubChem CID52937774
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide
SMILESCCCCC(=O)NCCCCN(CCC)C1Cc2ccccc2C1
InChIInChI=1S/C21H34N2O/c1-3-5-12-21(24)22-13-8-9-15-23(14-4-2)20-16-18-10-6-7-11-19(18)17-20/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3,(H,22,24)
InChIKeyWLQXVFLJINOZPU-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide?
The IUPAC name of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide (CID 52937774) is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide.
What is the SMILES notation for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide?
The canonical SMILES for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide is CCCCC(=O)NCCCCN(CCC)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide?
The InChIKey is WLQXVFLJINOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-5-12-21(24)22-13-8-9-15-23(14-4-2)20-16-18-10-6-7-11-19(18)17-20/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide?
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide has a molecular weight of 330.52 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]pentanamide is sourced from PubChem (CID 52937774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).