ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate

C14H24N2O2 — CID 110791986

IUPACethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-6-18-14(17)15-8-7-13-9-11(4)16(10(2)3)12(13)5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyVSTBMWIRBUPVGP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.97
Rot. Bonds5

About ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate

ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate (PubChem CID 110791986) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate
PubChem CID110791986
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(C)n(C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-6-18-14(17)15-8-7-13-9-11(4)16(10(2)3)12(13)5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyVSTBMWIRBUPVGP-UHFFFAOYSA-N
XLogP2.97
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate (CID 110791986) is ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate is CCOC(=O)NCCc1cc(C)n(C(C)C)c1C.
What is the InChIKey of ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate?
The InChIKey is VSTBMWIRBUPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-18-14(17)15-8-7-13-9-11(4)16(10(2)3)12(13)5/h9-10H,6-8H2,1-5H3,(H,15,17).
What are the key properties of ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate?
ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate has a molecular weight of 252.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]carbamate is sourced from PubChem (CID 110791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).