N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide

C14H20ClNO2 — CID 114303827

IUPACN-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(C)(CCl)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C14H20ClNO2/c1-4-14(2,10-15)16-13(17)9-11-7-5-6-8-12(11)18-3/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyZLIXJSOVKZFCEK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.76
Rot. Bonds6

About N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide

N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 114303827) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID114303827
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(C)(CCl)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C14H20ClNO2/c1-4-14(2,10-15)16-13(17)9-11-7-5-6-8-12(11)18-3/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyZLIXJSOVKZFCEK-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689
(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
CID 99777935
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
2-(5-chloro-2-methoxyphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945956
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
CID 88576704
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide (CID 114303827) is N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide is CCC(C)(CCl)NC(=O)Cc1ccccc1OC.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is ZLIXJSOVKZFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-14(2,10-15)16-13(17)9-11-7-5-6-8-12(11)18-3/h5-8H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 114303827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).