butyl 3-(2-phenoxypropanoylamino)benzoate

C20H23NO4 — CID 53265691

IUPACbutyl 3-(2-phenoxypropanoylamino)benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-3-4-13-24-20(23)16-9-8-10-17(14-16)21-19(22)15(2)25-18-11-6-5-7-12-18/h5-12,14-15H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyQGNIBODUSPWNFV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.05
Rot. Bonds8

About butyl 3-(2-phenoxypropanoylamino)benzoate

butyl 3-(2-phenoxypropanoylamino)benzoate (PubChem CID 53265691) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is butyl 3-(2-phenoxypropanoylamino)benzoate.

Molecular Properties

Compound Namebutyl 3-(2-phenoxypropanoylamino)benzoate
PubChem CID53265691
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebutyl 3-(2-phenoxypropanoylamino)benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-3-4-13-24-20(23)16-9-8-10-17(14-16)21-19(22)15(2)25-18-11-6-5-7-12-18/h5-12,14-15H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyQGNIBODUSPWNFV-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
CID 7984457
propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266816
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266502
hexyl 4-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266843
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785

Frequently Asked Questions

What is the IUPAC name of butyl 3-(2-phenoxypropanoylamino)benzoate?
The IUPAC name of butyl 3-(2-phenoxypropanoylamino)benzoate (CID 53265691) is butyl 3-(2-phenoxypropanoylamino)benzoate.
What is the SMILES notation for butyl 3-(2-phenoxypropanoylamino)benzoate?
The canonical SMILES for butyl 3-(2-phenoxypropanoylamino)benzoate is CCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of butyl 3-(2-phenoxypropanoylamino)benzoate?
The InChIKey is QGNIBODUSPWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-13-24-20(23)16-9-8-10-17(14-16)21-19(22)15(2)25-18-11-6-5-7-12-18/h5-12,14-15H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of butyl 3-(2-phenoxypropanoylamino)benzoate?
butyl 3-(2-phenoxypropanoylamino)benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(2-phenoxypropanoylamino)benzoate is sourced from PubChem (CID 53265691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).