3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C14H20ClNO2 — CID 82109933

IUPAC3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)C(C)(C)CCl)cc1
InChIInChI=1S/C14H20ClNO2/c1-11-4-6-12(7-5-11)18-9-8-16-13(17)14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyPJNPPANLCGETMT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.76
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide

3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 82109933) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID82109933
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)C(C)(C)CCl)cc1
InChIInChI=1S/C14H20ClNO2/c1-11-4-6-12(7-5-11)18-9-8-16-13(17)14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyPJNPPANLCGETMT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
2-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]pentanamide
CID 119722699
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 82109933) is 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)C(C)(C)CCl)cc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is PJNPPANLCGETMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-4-6-12(7-5-11)18-9-8-16-13(17)14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide 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 3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 82109933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).