2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide

C24H30ClN3O2 — CID 166633162

IUPAC2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,3)18-10-12-20(13-11-18)28(21(29)15-25)22(17-7-6-14-26-16-17)23(30)27-19-8-4-5-9-19/h6-7,10-14,16,19,22H,4-5,8-9,15H2,1-3H3,(H,27,30)
InChIKeyYBUNFVODWNUNDK-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.75
Rot. Bonds6

About 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide

2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide (PubChem CID 166633162) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide
PubChem CID166633162
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,3)18-10-12-20(13-11-18)28(21(29)15-25)22(17-7-6-14-26-16-17)23(30)27-19-8-4-5-9-19/h6-7,10-14,16,19,22H,4-5,8-9,15H2,1-3H3,(H,27,30)
InChIKeyYBUNFVODWNUNDK-UHFFFAOYSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide (CID 166633162) is 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide is CC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NC2CCCC2)c2cccnc2)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide?
The InChIKey is YBUNFVODWNUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-24(2,3)18-10-12-20(13-11-18)28(21(29)15-25)22(17-7-6-14-26-16-17)23(30)27-19-8-4-5-9-19/h6-7,10-14,16,19,22H,4-5,8-9,15H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide?
2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide has a molecular weight of 427.98 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-cyclopentyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 166633162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).