N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C17H26N2O4 — CID 111912176

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C2CCCN2C(=O)C(C)C)o1
InChIInChI=1S/C17H26N2O4/c1-11(2)16(21)19-9-5-6-13(19)15(20)18-10-17(4,22)14-8-7-12(3)23-14/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyHCZZIDZDJBDNSP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.56
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 111912176) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID111912176
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C2CCCN2C(=O)C(C)C)o1
InChIInChI=1S/C17H26N2O4/c1-11(2)16(21)19-9-5-6-13(19)15(20)18-10-17(4,22)14-8-7-12(3)23-14/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyHCZZIDZDJBDNSP-UHFFFAOYSA-N
XLogP1.56
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
N-(2-hydroxy-2,3-dimethylpentyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111463611
(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
CID 124621109
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94592974
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111479151
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 111912176) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is Cc1ccc(C(C)(O)CNC(=O)C2CCCN2C(=O)C(C)C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is HCZZIDZDJBDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)16(21)19-9-5-6-13(19)15(20)18-10-17(4,22)14-8-7-12(3)23-14/h7-8,11,13,22H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 111912176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).