N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide

C15H22N2O4 — CID 50877620

IUPACN,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C15H22N2O4/c1-3-16(4-2)9(18)6-17-14(20)10-7-5-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,3-6H2,1-2H3
InChIKeyGLSBIFCEFHWNEB-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.34
Rot. Bonds4

About N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide

N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide (PubChem CID 50877620) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide
PubChem CID50877620
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C15H22N2O4/c1-3-16(4-2)9(18)6-17-14(20)10-7-5-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,3-6H2,1-2H3
InChIKeyGLSBIFCEFHWNEB-UHFFFAOYSA-N
XLogP-0.34
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
CID 50877554
5-benzyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859585
N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide
CID 50877680
9-hydroxy-5-(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859589
9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859586
N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
CID 50877556
2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)-N,N-dimethyl-3-phenylpropanamide
CID 50877674
N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)-4-methylsulfanylbutanamide
CID 50877691
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N,N-diethylacetamide
CID 98304279
9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50877538
(1S,2S,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711941
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide (CID 50877620) is N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide is CCN(CC)C(=O)CN1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide?
The InChIKey is GLSBIFCEFHWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-16(4-2)9(18)6-17-14(20)10-7-5-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide?
N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide is sourced from PubChem (CID 50877620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).