N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide

C14H21ClN2O2 — CID 119587183

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)7-11(8-16)17-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyXUVFBCLKSOBEDB-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.21
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide (PubChem CID 119587183) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
PubChem CID119587183
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)7-11(8-16)17-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyXUVFBCLKSOBEDB-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61173622
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119598961

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide (CID 119587183) is N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide is CC(C)CC(CN)NC(=O)COc1ccccc1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is XUVFBCLKSOBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)7-11(8-16)17-14(18)9-19-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 119587183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).