1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide

C15H20N4O3 — CID 126815827

IUPAC1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
SMILESCCc1cccc(NC(=O)N2CC(C(N)=O)C(C(N)=O)C2)c1
InChIInChI=1S/C15H20N4O3/c1-2-9-4-3-5-10(6-9)18-15(22)19-7-11(13(16)20)12(8-19)14(17)21/h3-6,11-12H,2,7-8H2,1H3,(H2,16,20)(H2,17,21)(H,18,22)
InChIKeyPTKZPKXBDCFBGB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.30
Rot. Bonds4

About 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide

1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide (PubChem CID 126815827) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide.

Molecular Properties

Compound Name1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
PubChem CID126815827
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
SMILESCCc1cccc(NC(=O)N2CC(C(N)=O)C(C(N)=O)C2)c1
InChIInChI=1S/C15H20N4O3/c1-2-9-4-3-5-10(6-9)18-15(22)19-7-11(13(16)20)12(8-19)14(17)21/h3-6,11-12H,2,7-8H2,1H3,(H2,16,20)(H2,17,21)(H,18,22)
InChIKeyPTKZPKXBDCFBGB-UHFFFAOYSA-N
XLogP0.30
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
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1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
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3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
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(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
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N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
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tert-butyl 3-[[amino-(3-ethylanilino)methylidene]amino]azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide?
The IUPAC name of 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide (CID 126815827) is 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide.
What is the SMILES notation for 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide?
The canonical SMILES for 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide is CCc1cccc(NC(=O)N2CC(C(N)=O)C(C(N)=O)C2)c1.
What is the InChIKey of 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide?
The InChIKey is PTKZPKXBDCFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-9-4-3-5-10(6-9)18-15(22)19-7-11(13(16)20)12(8-19)14(17)21/h3-6,11-12H,2,7-8H2,1H3,(H2,16,20)(H2,17,21)(H,18,22).
What are the key properties of 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide?
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide is sourced from PubChem (CID 126815827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).