(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide

C20H21N3O4 — CID 155913503

IUPAC(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)Nc1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C20H21N3O4/c24-19-14-10-23(11-15(21-19)13-26-12-14)20(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,21,24)(H,22,25)/t14-,15+/m1/s1
InChIKeyINCUQPAQIZAKCR-CABCVRRESA-N
MW367.40 g/mol
LogP2.46
Rot. Bonds3

About (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide

(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide (PubChem CID 155913503) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide.

Molecular Properties

Compound Name(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
PubChem CID155913503
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)Nc1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C20H21N3O4/c24-19-14-10-23(11-15(21-19)13-26-12-14)20(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,21,24)(H,22,25)/t14-,15+/m1/s1
InChIKeyINCUQPAQIZAKCR-CABCVRRESA-N
XLogP2.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-N-(2-methoxy-5-methylphenyl)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155916201
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide
CID 157020340
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
(1S,5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide
CID 155911832
(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118793687
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
(1S,5R)-7-(3-hydroxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155918769
4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138381896
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
(1S,5R)-7-(1H-indole-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155507493

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide?
The IUPAC name of (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide (CID 155913503) is (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide.
What is the SMILES notation for (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide?
The canonical SMILES for (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide is O=C1N[C@@H]2COC[C@H]1CN(C(=O)Nc1ccccc1Oc1ccccc1)C2.
What is the InChIKey of (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide?
The InChIKey is INCUQPAQIZAKCR-CABCVRRESA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19-14-10-23(11-15(21-19)13-26-12-14)20(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,21,24)(H,22,25)/t14-,15+/m1/s1.
What are the key properties of (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide?
(1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-10-oxo-N-(2-phenoxyphenyl)-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxamide is sourced from PubChem (CID 155913503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).