N-[4-(diethylamino)phenyl]cyclopentanecarboxamide

C16H24N2O — CID 849594

IUPACN-[4-(diethylamino)phenyl]cyclopentanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)15-11-9-14(10-12-15)17-16(19)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,17,19)
InChIKeyHFWGJLBLBGDGEN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(diethylamino)phenyl]cyclopentanecarboxamide

N-[4-(diethylamino)phenyl]cyclopentanecarboxamide (PubChem CID 849594) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]cyclopentanecarboxamide
PubChem CID849594
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(diethylamino)phenyl]cyclopentanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-18(4-2)15-11-9-14(10-12-15)17-16(19)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,17,19)
InChIKeyHFWGJLBLBGDGEN-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]cyclopentanecarboxamide (CID 849594) is N-[4-(diethylamino)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]cyclopentanecarboxamide is CCN(CC)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]cyclopentanecarboxamide?
The InChIKey is HFWGJLBLBGDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(4-2)15-11-9-14(10-12-15)17-16(19)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)phenyl]cyclopentanecarboxamide?
N-[4-(diethylamino)phenyl]cyclopentanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 849594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).