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

C14H20N2O4 — CID 50877680

IUPACN-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide
SMILESCCNC(=O)C(C)N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C14H20N2O4/c1-3-15-12(18)5(2)16-13(19)8-6-4-7-9(8)14(16)20-11(7)10(6)17/h5-11,14,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyQLXHNYITQVUHMK-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.68
Rot. Bonds3

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

N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide (PubChem CID 50877680) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide
PubChem CID50877680
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide
SMILESCCNC(=O)C(C)N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C14H20N2O4/c1-3-15-12(18)5(2)16-13(19)8-6-4-7-9(8)14(16)20-11(7)10(6)17/h5-11,14,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyQLXHNYITQVUHMK-UHFFFAOYSA-N
XLogP-0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
CID 50877554
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
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
N-ethyl-2-pyrrol-1-ylpropanamide
CID 61478012
9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50877538
2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide
CID 115947718
5-(cyclopropylmethyl)-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 66486310
N-ethyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42815580
N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide?
The IUPAC name of N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide (CID 50877680) is N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide?
The canonical SMILES for N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide is CCNC(=O)C(C)N1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide?
The InChIKey is QLXHNYITQVUHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-15-12(18)5(2)16-13(19)8-6-4-7-9(8)14(16)20-11(7)10(6)17/h5-11,14,17H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide?
N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide has a molecular weight of 280.32 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)propanamide is sourced from PubChem (CID 50877680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).