3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide

C12H17ClN2O2 — CID 39750578

IUPAC3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCN(CCOc1ccc(Cl)cc1)CCC(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-15(7-6-12(14)16)8-9-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,16)
InChIKeyXSQYULFFVRSXCP-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.53
Rot. Bonds7

About 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide

3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide (PubChem CID 39750578) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
PubChem CID39750578
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCN(CCOc1ccc(Cl)cc1)CCC(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-15(7-6-12(14)16)8-9-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,16)
InChIKeyXSQYULFFVRSXCP-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
2-chloroethyl 3-(4-chlorophenoxy)propanoate
CID 86256389
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
2-[2-(4-carbamothioylphenoxy)ethyl-methylamino]acetamide
CID 43373985
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide (CID 39750578) is 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide is CN(CCOc1ccc(Cl)cc1)CCC(N)=O.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide?
The InChIKey is XSQYULFFVRSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(7-6-12(14)16)8-9-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,16).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide?
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide is sourced from PubChem (CID 39750578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).