propan-2-yl 4-(2-methylpentylamino)benzoate

C16H25NO2 — CID 43684020

IUPACpropan-2-yl 4-(2-methylpentylamino)benzoate
SMILESCCCC(C)CNc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-13(4)11-17-15-9-7-14(8-10-15)16(18)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyZJJHAIWTQYOECI-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.10
Rot. Bonds7

About propan-2-yl 4-(2-methylpentylamino)benzoate

propan-2-yl 4-(2-methylpentylamino)benzoate (PubChem CID 43684020) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is propan-2-yl 4-(2-methylpentylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-methylpentylamino)benzoate
PubChem CID43684020
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namepropan-2-yl 4-(2-methylpentylamino)benzoate
SMILESCCCC(C)CNc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-6-13(4)11-17-15-9-7-14(8-10-15)16(18)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3
InChIKeyZJJHAIWTQYOECI-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpentylamino)benzamide
CID 43201058
propan-2-yl 4-(butylamino)benzoate
CID 43228867
propan-2-yl 4-[4-(2,3-dihydroxypropylamino)phenyl]benzoate
CID 168596264
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-methylpentylamino)benzoate?
The IUPAC name of propan-2-yl 4-(2-methylpentylamino)benzoate (CID 43684020) is propan-2-yl 4-(2-methylpentylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-methylpentylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(2-methylpentylamino)benzoate is CCCC(C)CNc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-(2-methylpentylamino)benzoate?
The InChIKey is ZJJHAIWTQYOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-13(4)11-17-15-9-7-14(8-10-15)16(18)19-12(2)3/h7-10,12-13,17H,5-6,11H2,1-4H3.
What are the key properties of propan-2-yl 4-(2-methylpentylamino)benzoate?
propan-2-yl 4-(2-methylpentylamino)benzoate has a molecular weight of 263.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-methylpentylamino)benzoate is sourced from PubChem (CID 43684020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).