[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate

C19H22N2O3 — CID 86960880

IUPAC[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
SMILESCCNC(=O)c1ccc(OC(=O)c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-20-18(22)14-8-12-17(13-9-14)24-19(23)15-6-10-16(11-7-15)21(3)5-2/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyJJKVNDSBSGDAGY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds6

About [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate

[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate (PubChem CID 86960880) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
PubChem CID86960880
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
SMILESCCNC(=O)c1ccc(OC(=O)c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-20-18(22)14-8-12-17(13-9-14)24-19(23)15-6-10-16(11-7-15)21(3)5-2/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyJJKVNDSBSGDAGY-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate
CID 87527873
[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
CID 59335547
[4-(ethylcarbamoyl)phenyl] 4-ethoxy-3-methylbenzoate
CID 86960874
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
[4-(diethylamino)phenyl] benzoate
CID 67071301
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
[4-(ethylcarbamoyl)phenyl] formate
CID 165120828
[4-(ethylcarbamoyl)phenoxy]boronic acid
CID 142787457
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
4-[ethyl(methyl)amino]-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110908170
N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
CID 47081813
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate?
The IUPAC name of [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate (CID 86960880) is [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate.
What is the SMILES notation for [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate?
The canonical SMILES for [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate is CCNC(=O)c1ccc(OC(=O)c2ccc(N(C)CC)cc2)cc1.
What is the InChIKey of [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate?
The InChIKey is JJKVNDSBSGDAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-20-18(22)14-8-12-17(13-9-14)24-19(23)15-6-10-16(11-7-15)21(3)5-2/h6-13H,4-5H2,1-3H3,(H,20,22).
What are the key properties of [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate?
[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate is sourced from PubChem (CID 86960880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).