propyl 4-(dicyclopropylmethylamino)benzoate

C17H23NO2 — CID 43362907

IUPACpropyl 4-(dicyclopropylmethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-11-20-17(19)14-7-9-15(10-8-14)18-16(12-3-4-12)13-5-6-13/h7-10,12-13,16,18H,2-6,11H2,1H3
InChIKeyHSRCCJWLSBQLKX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.85
Rot. Bonds7

About propyl 4-(dicyclopropylmethylamino)benzoate

propyl 4-(dicyclopropylmethylamino)benzoate (PubChem CID 43362907) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is propyl 4-(dicyclopropylmethylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(dicyclopropylmethylamino)benzoate
PubChem CID43362907
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namepropyl 4-(dicyclopropylmethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-11-20-17(19)14-7-9-15(10-8-14)18-16(12-3-4-12)13-5-6-13/h7-10,12-13,16,18H,2-6,11H2,1H3
InChIKeyHSRCCJWLSBQLKX-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 29470932
propyl 4-(piperidin-4-ylamino)benzoate
CID 54902867
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
propyl 4-hydroxybenzoate
CID 66683808
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612

Frequently Asked Questions

What is the IUPAC name of propyl 4-(dicyclopropylmethylamino)benzoate?
The IUPAC name of propyl 4-(dicyclopropylmethylamino)benzoate (CID 43362907) is propyl 4-(dicyclopropylmethylamino)benzoate.
What is the SMILES notation for propyl 4-(dicyclopropylmethylamino)benzoate?
The canonical SMILES for propyl 4-(dicyclopropylmethylamino)benzoate is CCCOC(=O)c1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of propyl 4-(dicyclopropylmethylamino)benzoate?
The InChIKey is HSRCCJWLSBQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-11-20-17(19)14-7-9-15(10-8-14)18-16(12-3-4-12)13-5-6-13/h7-10,12-13,16,18H,2-6,11H2,1H3.
What are the key properties of propyl 4-(dicyclopropylmethylamino)benzoate?
propyl 4-(dicyclopropylmethylamino)benzoate has a molecular weight of 273.38 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(dicyclopropylmethylamino)benzoate is sourced from PubChem (CID 43362907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).