2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C14H24N2O2 — CID 60650440

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CCO)C(C)C)c(C)n1C
InChIInChI=1S/C14H24N2O2/c1-10(2)16(6-7-17)9-14(18)13-8-11(3)15(5)12(13)4/h8,10,17H,6-7,9H2,1-5H3
InChIKeyWOJMZXCQEDBPPM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60650440) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60650440
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CCO)C(C)C)c(C)n1C
InChIInChI=1S/C14H24N2O2/c1-10(2)16(6-7-17)9-14(18)13-8-11(3)15(5)12(13)4/h8,10,17H,6-7,9H2,1-5H3
InChIKeyWOJMZXCQEDBPPM-UHFFFAOYSA-N
XLogP1.53
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60650440) is 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN(CCO)C(C)C)c(C)n1C.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is WOJMZXCQEDBPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16(6-7-17)9-14(18)13-8-11(3)15(5)12(13)4/h8,10,17H,6-7,9H2,1-5H3.
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60650440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).