N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide

C14H21ClN2O — CID 81484294

IUPACN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyWXIRNFUFLLKTSV-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.52
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide

N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide (PubChem CID 81484294) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
PubChem CID81484294
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyWXIRNFUFLLKTSV-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119641198
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide (CID 81484294) is N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide is CCC(N)(CC)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is WXIRNFUFLLKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-14(16,4-2)10-17-13(18)9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 81484294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).