N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide

C21H26N2O4 — CID 51283099

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(C(CNC(=O)CCC(=O)c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C21H26N2O4/c1-16-7-9-20(27-16)18(23-11-13-26-14-12-23)15-22-21(25)10-8-19(24)17-5-3-2-4-6-17/h2-7,9,18H,8,10-15H2,1H3,(H,22,25)
InChIKeyIDWQHGMYPQOBLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide (PubChem CID 51283099) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
PubChem CID51283099
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(C(CNC(=O)CCC(=O)c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C21H26N2O4/c1-16-7-9-20(27-16)18(23-11-13-26-14-12-23)15-22-21(25)10-8-19(24)17-5-3-2-4-6-17/h2-7,9,18H,8,10-15H2,1H3,(H,22,25)
InChIKeyIDWQHGMYPQOBLF-UHFFFAOYSA-N
XLogP2.74
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 24643824
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 55713227
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32707918
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide (CID 51283099) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide is Cc1ccc(C(CNC(=O)CCC(=O)c2ccccc2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is IDWQHGMYPQOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-7-9-20(27-16)18(23-11-13-26-14-12-23)15-22-21(25)10-8-19(24)17-5-3-2-4-6-17/h2-7,9,18H,8,10-15H2,1H3,(H,22,25).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 370.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 51283099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).