methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate

C20H23NO4 — CID 53266101

IUPACmethyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-5-15-6-12-18(13-7-15)25-14(2)19(22)21-17-10-8-16(9-11-17)20(23)24-3/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyYKHAENQBUSMPJH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.83
Rot. Bonds7

About methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate

methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate (PubChem CID 53266101) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
PubChem CID53266101
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-5-15-6-12-18(13-7-15)25-14(2)19(22)21-17-10-8-16(9-11-17)20(23)24-3/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyYKHAENQBUSMPJH-UHFFFAOYSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
4-[2-(4-ethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196211
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate (CID 53266101) is methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate is CCCc1ccc(OC(C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate?
The InChIKey is YKHAENQBUSMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-5-15-6-12-18(13-7-15)25-14(2)19(22)21-17-10-8-16(9-11-17)20(23)24-3/h6-14H,4-5H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate?
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53266101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).