N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide

C22H27N3O5 — CID 156611942

IUPACN-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide
SMILESO=C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccoc2)CCCOCCN1
InChIInChI=1S/C22H27N3O5/c26-20-7-11-25(10-4-12-29-14-9-23-20)22(28)19(15-17-5-2-1-3-6-17)24-21(27)18-8-13-30-16-18/h1-3,5-6,8,13,16,19H,4,7,9-12,14-15H2,(H,23,26)(H,24,27)
InChIKeyUANYRLVHWVBUDD-UHFFFAOYSA-N
MW413.47 g/mol
LogP1.38
Rot. Bonds5

About N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide

N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide (PubChem CID 156611942) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide
PubChem CID156611942
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide
SMILESO=C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccoc2)CCCOCCN1
InChIInChI=1S/C22H27N3O5/c26-20-7-11-25(10-4-12-29-14-9-23-20)22(28)19(15-17-5-2-1-3-6-17)24-21(27)18-8-13-30-16-18/h1-3,5-6,8,13,16,19H,4,7,9-12,14-15H2,(H,23,26)(H,24,27)
InChIKeyUANYRLVHWVBUDD-UHFFFAOYSA-N
XLogP1.38
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-3-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]urea
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3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
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N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide (CID 156611942) is N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide is O=C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccoc2)CCCOCCN1.
What is the InChIKey of N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide?
The InChIKey is UANYRLVHWVBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c26-20-7-11-25(10-4-12-29-14-9-23-20)22(28)19(15-17-5-2-1-3-6-17)24-21(27)18-8-13-30-16-18/h1-3,5-6,8,13,16,19H,4,7,9-12,14-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 156611942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).