propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate

C21H25NO4 — CID 53266816

IUPACpropyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)C(C)Oc2cccc(CC)c2)c1
InChIInChI=1S/C21H25NO4/c1-4-12-25-21(24)17-9-7-10-18(14-17)22-20(23)15(3)26-19-11-6-8-16(5-2)13-19/h6-11,13-15H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyDWCNOXFAOSSGCM-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.22
Rot. Bonds8

About propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate

propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate (PubChem CID 53266816) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
PubChem CID53266816
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)C(C)Oc2cccc(CC)c2)c1
InChIInChI=1S/C21H25NO4/c1-4-12-25-21(24)17-9-7-10-18(14-17)22-20(23)15(3)26-19-11-6-8-16(5-2)13-19/h6-11,13-15H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyDWCNOXFAOSSGCM-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
hexyl 4-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266843
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266502
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 53267152
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294

Frequently Asked Questions

What is the IUPAC name of propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate?
The IUPAC name of propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate (CID 53266816) is propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate is CCCOC(=O)c1cccc(NC(=O)C(C)Oc2cccc(CC)c2)c1.
What is the InChIKey of propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate?
The InChIKey is DWCNOXFAOSSGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-12-25-21(24)17-9-7-10-18(14-17)22-20(23)15(3)26-19-11-6-8-16(5-2)13-19/h6-11,13-15H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate?
propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53266816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).