N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide

C17H26N4O2 — CID 71918175

IUPACN-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2cccc(C)c2)C1
InChIInChI=1S/C17H26N4O2/c1-3-18-17(23)21-10-8-15(12-21)20-16(22)19-9-7-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,18,23)(H2,19,20,22)
InChIKeyFOYQIVCEOKLUBQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide

N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide (PubChem CID 71918175) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide
PubChem CID71918175
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2cccc(C)c2)C1
InChIInChI=1S/C17H26N4O2/c1-3-18-17(23)21-10-8-15(12-21)20-16(22)19-9-7-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,18,23)(H2,19,20,22)
InChIKeyFOYQIVCEOKLUBQ-UHFFFAOYSA-N
XLogP1.64
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide (CID 71918175) is N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)NCCc2cccc(C)c2)C1.
What is the InChIKey of N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide?
The InChIKey is FOYQIVCEOKLUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-18-17(23)21-10-8-15(12-21)20-16(22)19-9-7-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,18,23)(H2,19,20,22).
What are the key properties of N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(3-methylphenyl)ethylcarbamoylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71918175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).