N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

C21H26ClN3O2 — CID 2115017

IUPACN-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-3-4-7-16-10-12-17(13-11-16)23-20(26)14-25(2)15-21(27)24-19-9-6-5-8-18(19)22/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLQZQXFCYWQVZJG-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.19
Rot. Bonds9

About N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2115017) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2115017
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-3-4-7-16-10-12-17(13-11-16)23-20(26)14-25(2)15-21(27)24-19-9-6-5-8-18(19)22/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLQZQXFCYWQVZJG-UHFFFAOYSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 2115017) is N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is CCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is LQZQXFCYWQVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-4-7-16-10-12-17(13-11-16)23-20(26)14-25(2)15-21(27)24-19-9-6-5-8-18(19)22/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 387.91 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2115017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).