N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide

C18H21N3O4 — CID 166415889

IUPACN-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC3(CCNC3=O)C2)c1
InChIInChI=1S/C18H21N3O4/c1-2-15(23)20-12-4-5-14(22)13(10-12)16(24)21-9-3-6-18(11-21)7-8-19-17(18)25/h2,4-5,10,22H,1,3,6-9,11H2,(H,19,25)(H,20,23)
InChIKeyTUKZNKXMBPBNEA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.26
Rot. Bonds3

About N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide

N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide (PubChem CID 166415889) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
PubChem CID166415889
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC3(CCNC3=O)C2)c1
InChIInChI=1S/C18H21N3O4/c1-2-15(23)20-12-4-5-14(22)13(10-12)16(24)21-9-3-6-18(11-21)7-8-19-17(18)25/h2,4-5,10,22H,1,3,6-9,11H2,(H,19,25)(H,20,23)
InChIKeyTUKZNKXMBPBNEA-UHFFFAOYSA-N
XLogP1.26
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide (CID 166415889) is N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC3(CCNC3=O)C2)c1.
What is the InChIKey of N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide?
The InChIKey is TUKZNKXMBPBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-15(23)20-12-4-5-14(22)13(10-12)16(24)21-9-3-6-18(11-21)7-8-19-17(18)25/h2,4-5,10,22H,1,3,6-9,11H2,(H,19,25)(H,20,23).
What are the key properties of N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide?
N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(1-oxo-2,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).