N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide

C12H14N2O3 — CID 95982442

IUPACN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1cccc1[C@@H](O)CNC(=O)c1ccco1
InChIInChI=1S/C12H14N2O3/c1-14-6-2-4-9(14)10(15)8-13-12(16)11-5-3-7-17-11/h2-7,10,15H,8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyYCQHIWFNYXNYNN-JTQLQIEISA-N
MW234.26 g/mol
LogP1.08
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 95982442) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
PubChem CID95982442
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1cccc1[C@@H](O)CNC(=O)c1ccco1
InChIInChI=1S/C12H14N2O3/c1-14-6-2-4-9(14)10(15)8-13-12(16)11-5-3-7-17-11/h2-7,10,15H,8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyYCQHIWFNYXNYNN-JTQLQIEISA-N
XLogP1.08
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 95982464
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
CID 131866589
3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
CID 99873612

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide (CID 95982442) is N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide is Cn1cccc1[C@@H](O)CNC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is YCQHIWFNYXNYNN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-6-2-4-9(14)10(15)8-13-12(16)11-5-3-7-17-11/h2-7,10,15H,8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide?
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 95982442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).