2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide

C14H20ClNO3 — CID 46770327

IUPAC2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-18-9-5-8-16-14(17)11(2)19-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyTWKQZSUJHWAEMI-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.65
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide

2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide (PubChem CID 46770327) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
PubChem CID46770327
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
SMILESCCOCCCNC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-18-9-5-8-16-14(17)11(2)19-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyTWKQZSUJHWAEMI-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide (CID 46770327) is 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide is CCOCCCNC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide?
The InChIKey is TWKQZSUJHWAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-18-9-5-8-16-14(17)11(2)19-13-7-4-6-12(15)10-13/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide?
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide has a molecular weight of 285.77 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide is sourced from PubChem (CID 46770327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).