4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide

C17H21N3O4 — CID 157020340

IUPAC4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide
SMILESO=C(CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)Nc1ccccc1
InChIInChI=1S/C17H21N3O4/c21-15(18-13-4-2-1-3-5-13)6-7-16(22)20-8-12-10-24-11-14(9-20)19-17(12)23/h1-5,12,14H,6-11H2,(H,18,21)(H,19,23)/t12-,14+/m1/s1
InChIKeyWVDXNBVHYGDQHV-OCCSQVGLSA-N
MW331.37 g/mol
LogP0.38
Rot. Bonds4

About 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide

4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide (PubChem CID 157020340) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide.

Molecular Properties

Compound Name4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide
PubChem CID157020340
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide
SMILESO=C(CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)Nc1ccccc1
InChIInChI=1S/C17H21N3O4/c21-15(18-13-4-2-1-3-5-13)6-7-16(22)20-8-12-10-24-11-14(9-20)19-17(12)23/h1-5,12,14H,6-11H2,(H,18,21)(H,19,23)/t12-,14+/m1/s1
InChIKeyWVDXNBVHYGDQHV-OCCSQVGLSA-N
XLogP0.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide with MolForge

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Related Compounds

4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide
CID 155919214
(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155913503
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
(1S,5R)-7-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155505978
formic acid;methyl 4-[[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]amino]benzoate
CID 155971719
(1S,5R)-7-[4-[5-(4-fluorophenyl)tetrazol-2-yl]butanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157019764
(1S,5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155911832
(1S,5R)-7-(1H-indole-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155507493
(1S,5R)-N-(2-methoxy-5-methylphenyl)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155916201
(1S,5R)-7-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155919057
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide?
The IUPAC name of 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide (CID 157020340) is 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide.
What is the SMILES notation for 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide?
The canonical SMILES for 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide is O=C(CCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)Nc1ccccc1.
What is the InChIKey of 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide?
The InChIKey is WVDXNBVHYGDQHV-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15(18-13-4-2-1-3-5-13)6-7-16(22)20-8-12-10-24-11-14(9-20)19-17(12)23/h1-5,12,14H,6-11H2,(H,18,21)(H,19,23)/t12-,14+/m1/s1.
What are the key properties of 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide?
4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide has a molecular weight of 331.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide is sourced from PubChem (CID 157020340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).