N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C18H28N2O4 — CID 111481264

IUPACN-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC(C)NC(=O)C2CCCC2)o1
InChIInChI=1S/C18H28N2O4/c1-12(20-17(22)14-6-4-5-7-14)10-16(21)19-11-18(3,23)15-9-8-13(2)24-15/h8-9,12,14,23H,4-7,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNBEKENPORPWGSO-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.00
Rot. Bonds7

About N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 111481264) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID111481264
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC(C)NC(=O)C2CCCC2)o1
InChIInChI=1S/C18H28N2O4/c1-12(20-17(22)14-6-4-5-7-14)10-16(21)19-11-18(3,23)15-9-8-13(2)24-15/h8-9,12,14,23H,4-7,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNBEKENPORPWGSO-UHFFFAOYSA-N
XLogP2.00
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
2-(1-hydroxycyclopentyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111912231
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 111912176
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481648
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481480
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481385
1-[[(2S)-1-ethylpiperidin-2-yl]methyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 100859336

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 111481264) is N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is Cc1ccc(C(C)(O)CNC(=O)CC(C)NC(=O)C2CCCC2)o1.
What is the InChIKey of N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is NBEKENPORPWGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(20-17(22)14-6-4-5-7-14)10-16(21)19-11-18(3,23)15-9-8-13(2)24-15/h8-9,12,14,23H,4-7,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 111481264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).