N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide

C16H21NO — CID 4877671

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCCC1
InChIInChI=1S/C16H21NO/c18-16(13-7-1-2-8-13)17-15-11-5-9-12-6-3-4-10-14(12)15/h3-4,6,10,13,15H,1-2,5,7-9,11H2,(H,17,18)
InChIKeyDGCVBXTWMCFMKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.37
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide (PubChem CID 4877671) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide
PubChem CID4877671
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCCC1
InChIInChI=1S/C16H21NO/c18-16(13-7-1-2-8-13)17-15-11-5-9-12-6-3-4-10-14(12)15/h3-4,6,10,13,15H,1-2,5,7-9,11H2,(H,17,18)
InChIKeyDGCVBXTWMCFMKR-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide 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-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide (CID 4877671) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide is O=C(NC1CCCc2ccccc21)C1CCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide?
The InChIKey is DGCVBXTWMCFMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(13-7-1-2-8-13)17-15-11-5-9-12-6-3-4-10-14(12)15/h3-4,6,10,13,15H,1-2,5,7-9,11H2,(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanecarboxamide is sourced from PubChem (CID 4877671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).