2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide

C13H17ClN2O3 — CID 18145731

IUPAC2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-3-15-12(17)8-16-13(18)9(2)19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGGCMZYKYZNRZJE-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.36
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide

2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 18145731) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID18145731
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-3-15-12(17)8-16-13(18)9(2)19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGGCMZYKYZNRZJE-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
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CID 4944309
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
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(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
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6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 18145731) is 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is GGCMZYKYZNRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-15-12(17)8-16-13(18)9(2)19-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 284.74 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 18145731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).