propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate

C20H23NO3 — CID 19220464

IUPACpropan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
SMILESCc1ccc(CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)24-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-15(3)5-7-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,21,22)
InChIKeyRMDMPFOTJHSEJR-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.13
Rot. Bonds6

About propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate

propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate (PubChem CID 19220464) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
PubChem CID19220464
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namepropan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
SMILESCc1ccc(CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-14(2)24-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-15(3)5-7-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,21,22)
InChIKeyRMDMPFOTJHSEJR-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-bis(4-methylphenyl)propanamide
CID 19220434
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
propan-2-yl 4-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731169
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 19187874
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate?
The IUPAC name of propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate (CID 19220464) is propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate is Cc1ccc(CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate?
The InChIKey is RMDMPFOTJHSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)24-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-15(3)5-7-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,21,22).
What are the key properties of propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate?
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate has a molecular weight of 325.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate is sourced from PubChem (CID 19220464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).