propan-2-yl 4-(butan-2-ylamino)benzoate

C14H21NO2 — CID 43684062

IUPACpropan-2-yl 4-(butan-2-ylamino)benzoate
SMILESCCC(C)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-13-8-6-12(7-9-13)14(16)17-10(2)3/h6-11,15H,5H2,1-4H3
InChIKeyTUUOIKLCEUSRDM-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.46
Rot. Bonds5

About propan-2-yl 4-(butan-2-ylamino)benzoate

propan-2-yl 4-(butan-2-ylamino)benzoate (PubChem CID 43684062) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is propan-2-yl 4-(butan-2-ylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(butan-2-ylamino)benzoate
PubChem CID43684062
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepropan-2-yl 4-(butan-2-ylamino)benzoate
SMILESCCC(C)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-13-8-6-12(7-9-13)14(16)17-10(2)3/h6-11,15H,5H2,1-4H3
InChIKeyTUUOIKLCEUSRDM-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-(hex-5-en-2-ylamino)benzoate
CID 104655452
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-(1-phenylethylamino)benzoate
CID 43226962
propan-2-yl 4-(butylamino)benzoate
CID 43228867
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-(2-methylpentylamino)benzoate
CID 43684020
4-[[4-(butan-2-ylamino)phenyl]diazenyl]benzoic acid
CID 15508802
ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
propan-2-yl 4-(butan-2-ylamino)-3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 132667641
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(butan-2-ylamino)benzoate?
The IUPAC name of propan-2-yl 4-(butan-2-ylamino)benzoate (CID 43684062) is propan-2-yl 4-(butan-2-ylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(butan-2-ylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(butan-2-ylamino)benzoate is CCC(C)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-(butan-2-ylamino)benzoate?
The InChIKey is TUUOIKLCEUSRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(4)15-13-8-6-12(7-9-13)14(16)17-10(2)3/h6-11,15H,5H2,1-4H3.
What are the key properties of propan-2-yl 4-(butan-2-ylamino)benzoate?
propan-2-yl 4-(butan-2-ylamino)benzoate has a molecular weight of 235.33 g/mol, XLogP of 3.46, 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-(butan-2-ylamino)benzoate is sourced from PubChem (CID 43684062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).