propan-2-yl 4-(hex-5-en-2-ylamino)benzoate

C16H23NO2 — CID 104655452

IUPACpropan-2-yl 4-(hex-5-en-2-ylamino)benzoate
SMILESC=CCCC(C)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-5-6-7-13(4)17-15-10-8-14(9-11-15)16(18)19-12(2)3/h5,8-13,17H,1,6-7H2,2-4H3
InChIKeyLURFGFQPIBXAPF-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.02
Rot. Bonds7

About propan-2-yl 4-(hex-5-en-2-ylamino)benzoate

propan-2-yl 4-(hex-5-en-2-ylamino)benzoate (PubChem CID 104655452) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propan-2-yl 4-(hex-5-en-2-ylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(hex-5-en-2-ylamino)benzoate
PubChem CID104655452
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropan-2-yl 4-(hex-5-en-2-ylamino)benzoate
SMILESC=CCCC(C)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-5-6-7-13(4)17-15-10-8-14(9-11-15)16(18)19-12(2)3/h5,8-13,17H,1,6-7H2,2-4H3
InChIKeyLURFGFQPIBXAPF-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
2-[(4-propan-2-yloxycarbonylphenyl)methyl]hex-5-enoic acid
CID 134523910
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
propan-2-yl 4-(1-phenylethylamino)benzoate
CID 43226962
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-(2-methylpentylamino)benzoate
CID 43684020
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
CID 104655651
propan-2-yl 4-(butylamino)benzoate
CID 43228867
4-fluoro-3-(hex-5-en-2-ylamino)benzoic acid
CID 104655546

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(hex-5-en-2-ylamino)benzoate?
The IUPAC name of propan-2-yl 4-(hex-5-en-2-ylamino)benzoate (CID 104655452) is propan-2-yl 4-(hex-5-en-2-ylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(hex-5-en-2-ylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(hex-5-en-2-ylamino)benzoate is C=CCCC(C)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-(hex-5-en-2-ylamino)benzoate?
The InChIKey is LURFGFQPIBXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-6-7-13(4)17-15-10-8-14(9-11-15)16(18)19-12(2)3/h5,8-13,17H,1,6-7H2,2-4H3.
What are the key properties of propan-2-yl 4-(hex-5-en-2-ylamino)benzoate?
propan-2-yl 4-(hex-5-en-2-ylamino)benzoate has a molecular weight of 261.37 g/mol, XLogP of 4.02, 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-(hex-5-en-2-ylamino)benzoate is sourced from PubChem (CID 104655452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).