2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C16H24N2O3 — CID 115588959

IUPAC2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1ccc(C2CC2C)o1)C(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(11)15-4-3-13(21-15)10-17-12(2)16(19)18-5-7-20-8-6-18/h3-4,11-12,14,17H,5-10H2,1-2H3
InChIKeyROHBWBWJAVXAGV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.74
Rot. Bonds5

About 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115588959) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115588959
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCc1ccc(C2CC2C)o1)C(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(11)15-4-3-13(21-15)10-17-12(2)16(19)18-5-7-20-8-6-18/h3-4,11-12,14,17H,5-10H2,1-2H3
InChIKeyROHBWBWJAVXAGV-UHFFFAOYSA-N
XLogP1.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
CID 62109475
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43182304
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 115588959) is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CC(NCc1ccc(C2CC2C)o1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ROHBWBWJAVXAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-14(11)15-4-3-13(21-15)10-17-12(2)16(19)18-5-7-20-8-6-18/h3-4,11-12,14,17H,5-10H2,1-2H3.
What are the key properties of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115588959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).