N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide

C15H22N2O4 — CID 110014076

IUPACN-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)o1
InChIInChI=1S/C15H22N2O4/c1-8-4-7-12(21-8)9(2)16-15(20)13(10(3)18)17-14(19)11-5-6-11/h4,7,9-11,13,18H,5-6H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyQMALMWAGXHDRRQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.04
Rot. Bonds6

About N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014076) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014076
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)o1
InChIInChI=1S/C15H22N2O4/c1-8-4-7-12(21-8)9(2)16-15(20)13(10(3)18)17-14(19)11-5-6-11/h4,7,9-11,13,18H,5-6H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyQMALMWAGXHDRRQ-UHFFFAOYSA-N
XLogP1.04
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013792
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 166281756
N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015893
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014076) is N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1ccc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)o1.
What is the InChIKey of N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is QMALMWAGXHDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8-4-7-12(21-8)9(2)16-15(20)13(10(3)18)17-14(19)11-5-6-11/h4,7,9-11,13,18H,5-6H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).