propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate

C23H29NO4 — CID 53266502

IUPACpropyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C23H29NO4/c1-6-14-27-22(26)17-10-9-11-18(15-17)24-21(25)16(2)28-20-13-8-7-12-19(20)23(3,4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,25)
InChIKeyRCEYTXKORMBHQB-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.96
Rot. Bonds7

About propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate

propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate (PubChem CID 53266502) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
PubChem CID53266502
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namepropyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C23H29NO4/c1-6-14-27-22(26)17-10-9-11-18(15-17)24-21(25)16(2)28-20-13-8-7-12-19(20)23(3,4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,25)
InChIKeyRCEYTXKORMBHQB-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266816
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
ethyl 3-[2-(2,4,5-trichlorophenoxy)propanoylamino]benzoate
CID 3272720
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
CID 53266516
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266510
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904

Frequently Asked Questions

What is the IUPAC name of propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The IUPAC name of propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate (CID 53266502) is propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate is CCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
The InChIKey is RCEYTXKORMBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-14-27-22(26)17-10-9-11-18(15-17)24-21(25)16(2)28-20-13-8-7-12-19(20)23(3,4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,25).
What are the key properties of propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate?
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate has a molecular weight of 383.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53266502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).