N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide

C14H21ClN2O — CID 103698697

IUPACN-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
SMILESCCC(C)(C)CNCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-14(2,3)10-16-9-13(18)17-12-7-5-11(15)6-8-12/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyJHTDKJQXMDESAV-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.30
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide

N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide (PubChem CID 103698697) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
PubChem CID103698697
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
SMILESCCC(C)(C)CNCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-4-14(2,3)10-16-9-13(18)17-12-7-5-11(15)6-8-12/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyJHTDKJQXMDESAV-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylbutylamino)-N-phenylacetamide
CID 113242973
N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 106256392
N-(4-chlorophenyl)-3,3-dimethylpentanamide
CID 18712252
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911843
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905399
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779586

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide (CID 103698697) is N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide is CCC(C)(C)CNCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide?
The InChIKey is JHTDKJQXMDESAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-14(2,3)10-16-9-13(18)17-12-7-5-11(15)6-8-12/h5-8,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide?
N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide is sourced from PubChem (CID 103698697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).