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

C18H28N2O — CID 52937773

IUPACN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide
SMILESCCCN(CCCCNC(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-11-20(12-7-6-10-19-15(2)21)18-13-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyAOMZLKZZYNTVAW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.78
Rot. Bonds8

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

N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide (PubChem CID 52937773) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide
PubChem CID52937773
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide
SMILESCCCN(CCCCNC(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-11-20(12-7-6-10-19-15(2)21)18-13-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,19,21)
InChIKeyAOMZLKZZYNTVAW-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.78
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]acetamide?
The IUPAC name of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide (CID 52937773) is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide.
What is the SMILES notation for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide?
The canonical SMILES for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide is CCCN(CCCCNC(C)=O)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide?
The InChIKey is AOMZLKZZYNTVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-20(12-7-6-10-19-15(2)21)18-13-16-8-4-5-9-17(16)14-18/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide?
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 2.78, 8 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]acetamide is sourced from PubChem (CID 52937773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).