ethyl 4-[3-(dimethylamino)propyl]benzoate

C14H21NO2 — CID 22908170

IUPACethyl 4-[3-(dimethylamino)propyl]benzoate
SMILESCCOC(=O)c1ccc(CCCN(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3/h7-10H,4-6,11H2,1-3H3
InChIKeyCDKJBLACXPFQEV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds6

About ethyl 4-[3-(dimethylamino)propyl]benzoate

ethyl 4-[3-(dimethylamino)propyl]benzoate (PubChem CID 22908170) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)propyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)propyl]benzoate
PubChem CID22908170
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 4-[3-(dimethylamino)propyl]benzoate
SMILESCCOC(=O)c1ccc(CCCN(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3/h7-10H,4-6,11H2,1-3H3
InChIKeyCDKJBLACXPFQEV-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-octylbenzoate
CID 19591720
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-(4,4-dimethylpentyl)benzoate
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ethyl 4-(4-heptylphenyl)benzoate
CID 146004855
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
ethyl 4-(4-hexylphenoxy)benzoate
CID 142414889
ethyl 4-(2-acetyloxyethyl)benzoate
CID 70067514
(2-ethoxy-2-oxoethyl) 4-butylbenzoate
CID 174942004
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)propyl]benzoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)propyl]benzoate (CID 22908170) is ethyl 4-[3-(dimethylamino)propyl]benzoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)propyl]benzoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)propyl]benzoate is CCOC(=O)c1ccc(CCCN(C)C)cc1.
What is the InChIKey of ethyl 4-[3-(dimethylamino)propyl]benzoate?
The InChIKey is CDKJBLACXPFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14(16)13-9-7-12(8-10-13)6-5-11-15(2)3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylamino)propyl]benzoate?
ethyl 4-[3-(dimethylamino)propyl]benzoate has a molecular weight of 235.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)propyl]benzoate is sourced from PubChem (CID 22908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).