N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide

C26H24N2O2 — CID 52951264

IUPACN-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide
SMILESC#CC(=O)N(c1ccc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-2-24(29)28(23-17-16-19-10-6-7-13-21(19)18-23)25(20-11-4-3-5-12-20)26(30)27-22-14-8-9-15-22/h1,3-7,10-13,16-18,22,25H,8-9,14-15H2,(H,27,30)
InChIKeyKQIDVHXZIVFQNW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide

N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide (PubChem CID 52951264) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide
PubChem CID52951264
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide
SMILESC#CC(=O)N(c1ccc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-2-24(29)28(23-17-16-19-10-6-7-13-21(19)18-23)25(20-11-4-3-5-12-20)26(30)27-22-14-8-9-15-22/h1,3-7,10-13,16-18,22,25H,8-9,14-15H2,(H,27,30)
InChIKeyKQIDVHXZIVFQNW-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide (CID 52951264) is N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide is C#CC(=O)N(c1ccc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide?
The InChIKey is KQIDVHXZIVFQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-2-24(29)28(23-17-16-19-10-6-7-13-21(19)18-23)25(20-11-4-3-5-12-20)26(30)27-22-14-8-9-15-22/h1,3-7,10-13,16-18,22,25H,8-9,14-15H2,(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide?
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide has a molecular weight of 396.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-naphthalen-2-ylprop-2-ynamide is sourced from PubChem (CID 52951264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).