N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide

C14H20ClNO2 — CID 115191439

IUPACN-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(C(C)(C)CNC(C)=O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-18-13-7-6-11(8-12(13)15)14(3,4)9-16-10(2)17/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyGMMNNTHBRHSAOX-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide

N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 115191439) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
PubChem CID115191439
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(C(C)(C)CNC(C)=O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-18-13-7-6-11(8-12(13)15)14(3,4)9-16-10(2)17/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyGMMNNTHBRHSAOX-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
CID 82287879
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
3-(3-chloro-4-ethoxyphenyl)prop-2-enoyl chloride
CID 131846945
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide (CID 115191439) is N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide is CCOc1ccc(C(C)(C)CNC(C)=O)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is GMMNNTHBRHSAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-18-13-7-6-11(8-12(13)15)14(3,4)9-16-10(2)17/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide?
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 269.77 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115191439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).