ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate

C16H22N2O3 — CID 63141450

IUPACethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(CC)CCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-16(9-10-17-11-16)15(20)18-13-7-5-12(6-8-13)14(19)21-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyRTLZLNHSTRYYCI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds5

About ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate

ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 63141450) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
PubChem CID63141450
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(CC)CCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-16(9-10-17-11-16)15(20)18-13-7-5-12(6-8-13)14(19)21-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyRTLZLNHSTRYYCI-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139535
ethyl 4-[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 18834243
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate (CID 63141450) is ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(CC)CCNC2)cc1.
What is the InChIKey of ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is RTLZLNHSTRYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(9-10-17-11-16)15(20)18-13-7-5-12(6-8-13)14(19)21-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate?
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 63141450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).