N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide

C18H25N3O3 — CID 4787805

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-3-21(18(24)14-6-4-5-7-14)12-17(23)20-16-10-8-15(9-11-16)19-13(2)22/h8-11,14H,3-7,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVABNBWJVUWADMH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide (PubChem CID 4787805) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide
PubChem CID4787805
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-3-21(18(24)14-6-4-5-7-14)12-17(23)20-16-10-8-15(9-11-16)19-13(2)22/h8-11,14H,3-7,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVABNBWJVUWADMH-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide (CID 4787805) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide?
The InChIKey is VABNBWJVUWADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-21(18(24)14-6-4-5-7-14)12-17(23)20-16-10-8-15(9-11-16)19-13(2)22/h8-11,14H,3-7,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide is sourced from PubChem (CID 4787805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).