2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide

C14H19ClN2O3 — CID 108541480

IUPAC2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-3-13(18)16-8-9-17-14(19)10(2)20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKVOUAPONGUGAPM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.75
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide

2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide (PubChem CID 108541480) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
PubChem CID108541480
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-3-13(18)16-8-9-17-14(19)10(2)20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKVOUAPONGUGAPM-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
CID 108572712
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541454
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide (CID 108541480) is 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide is CCC(=O)NCCNC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide?
The InChIKey is KVOUAPONGUGAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-13(18)16-8-9-17-14(19)10(2)20-12-6-4-11(15)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide?
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide has a molecular weight of 298.77 g/mol, XLogP of 1.75, 7 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-(propanoylamino)ethyl]propanamide is sourced from PubChem (CID 108541480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).