N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide

C15H23ClN2O2 — CID 106256392

IUPACN-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
SMILESCCC(CC)(CO)CNCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-3-15(4-2,11-19)10-17-9-14(20)18-13-7-5-12(16)6-8-13/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyBLIUUDZANYRMPB-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.67
Rot. Bonds8

About N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide

N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide (PubChem CID 106256392) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
PubChem CID106256392
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
SMILESCCC(CC)(CO)CNCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-3-15(4-2,11-19)10-17-9-14(20)18-13-7-5-12(16)6-8-13/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyBLIUUDZANYRMPB-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
CID 103698697
N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
CID 107852694
N-(4-chlorophenyl)-3,3-dimethylpentanamide
CID 18712252
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 66186004
N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905399
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911843

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide (CID 106256392) is N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide is CCC(CC)(CO)CNCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
The InChIKey is BLIUUDZANYRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-15(4-2,11-19)10-17-9-14(20)18-13-7-5-12(16)6-8-13/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide?
N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide is sourced from PubChem (CID 106256392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).