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

C15H22N2O4 — CID 50877554

IUPACN-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
SMILESCCNC(=O)CCCN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C15H22N2O4/c1-2-16-9(18)4-3-5-17-14(20)10-7-6-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,2-6H2,1H3,(H,16,18)
InChIKeyKGMRPBVOZAXFFZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.29
Rot. Bonds5

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

N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide (PubChem CID 50877554) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
PubChem CID50877554
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
SMILESCCNC(=O)CCCN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C15H22N2O4/c1-2-16-9(18)4-3-5-17-14(20)10-7-6-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,2-6H2,1H3,(H,16,18)
InChIKeyKGMRPBVOZAXFFZ-UHFFFAOYSA-N
XLogP-0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-Hydroxy-5-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859584
5-Cyclohexyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859595
5-Ethyl-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859616
5-Cyclohexyl-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859631
6-ethyl-7-hydroxy-6a-methyloctahydro-5H-2,4-methano-1-oxa-6-azacyclopenta[cd]pentalen-5-one
CID 50877510
N-Ethyl-6-hydroxy-2-oxohexahydro-3,5-methano-2H-cyclopenta(b)furan-7-carboxamide
CID 23424506
9-Hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859582
5-Ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859583
6-Ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859597
5,6-Diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859598
6-Ethyl-9-hydroxy-5-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859599
5-Cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The IUPAC name of N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide (CID 50877554) is N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide.
What is the SMILES notation for N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The canonical SMILES for N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide is CCNC(=O)CCCN1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The InChIKey is KGMRPBVOZAXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-16-9(18)4-3-5-17-14(20)10-7-6-8-11(10)15(17)21-13(8)12(7)19/h7-8,10-13,15,19H,2-6H2,1H3,(H,16,18).
What are the key properties of N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide has a molecular weight of 294.35 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide is sourced from PubChem (CID 50877554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).