propan-2-yl 4-(1-phenylethylamino)benzoate

C18H21NO2 — CID 43226962

IUPACpropan-2-yl 4-(1-phenylethylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-18(20)16-9-11-17(12-10-16)19-14(3)15-7-5-4-6-8-15/h4-14,19H,1-3H3
InChIKeyHQWSEKLJYOVQFQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.42
Rot. Bonds5

About propan-2-yl 4-(1-phenylethylamino)benzoate

propan-2-yl 4-(1-phenylethylamino)benzoate (PubChem CID 43226962) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is propan-2-yl 4-(1-phenylethylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(1-phenylethylamino)benzoate
PubChem CID43226962
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namepropan-2-yl 4-(1-phenylethylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)21-18(20)16-9-11-17(12-10-16)19-14(3)15-7-5-4-6-8-15/h4-14,19H,1-3H3
InChIKeyHQWSEKLJYOVQFQ-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1-phenylethylamino)benzoate
CID 43217232
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
propan-2-yl 4-[1-(5-bromothiophen-2-yl)ethylamino]benzoate
CID 63427373
1-phenylethyl 4-(methylamino)benzoate
CID 104625559
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1-phenylethylamino)benzoate?
The IUPAC name of propan-2-yl 4-(1-phenylethylamino)benzoate (CID 43226962) is propan-2-yl 4-(1-phenylethylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(1-phenylethylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(1-phenylethylamino)benzoate is CC(C)OC(=O)c1ccc(NC(C)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-(1-phenylethylamino)benzoate?
The InChIKey is HQWSEKLJYOVQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)21-18(20)16-9-11-17(12-10-16)19-14(3)15-7-5-4-6-8-15/h4-14,19H,1-3H3.
What are the key properties of propan-2-yl 4-(1-phenylethylamino)benzoate?
propan-2-yl 4-(1-phenylethylamino)benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1-phenylethylamino)benzoate is sourced from PubChem (CID 43226962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).