8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide

C17H24N2O3 — CID 136560980

IUPAC8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2CC3(CC(N)CCO3)C2)c1
InChIInChI=1S/C17H24N2O3/c1-2-11-3-4-15(20)14(7-11)19-16(21)12-8-17(9-12)10-13(18)5-6-22-17/h3-4,7,12-13,20H,2,5-6,8-10,18H2,1H3,(H,19,21)
InChIKeyRYRICWNBDQCMQR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.18
Rot. Bonds3

About 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide

8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide (PubChem CID 136560980) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
PubChem CID136560980
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESCCc1ccc(O)c(NC(=O)C2CC3(CC(N)CCO3)C2)c1
InChIInChI=1S/C17H24N2O3/c1-2-11-3-4-15(20)14(7-11)19-16(21)12-8-17(9-12)10-13(18)5-6-22-17/h3-4,7,12-13,20H,2,5-6,8-10,18H2,1H3,(H,19,21)
InChIKeyRYRICWNBDQCMQR-UHFFFAOYSA-N
XLogP2.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
CID 71983580
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
4-amino-N-(5-ethyl-2-hydroxyphenyl)oxane-4-carboxamide
CID 115295152
(3R)-N-(2,5-diethylphenyl)pyrrolidine-3-carboxamide
CID 124685796
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
CID 1293415
1-[(3-ethylphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 9239016
(1S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
CID 35978377
(E)-3-(4-aminophenyl)-N-(5-ethyl-2-hydroxyphenyl)prop-2-enamide
CID 115344623

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide (CID 136560980) is 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide is CCc1ccc(O)c(NC(=O)C2CC3(CC(N)CCO3)C2)c1.
What is the InChIKey of 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide?
The InChIKey is RYRICWNBDQCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-11-3-4-15(20)14(7-11)19-16(21)12-8-17(9-12)10-13(18)5-6-22-17/h3-4,7,12-13,20H,2,5-6,8-10,18H2,1H3,(H,19,21).
What are the key properties of 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide?
8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(5-ethyl-2-hydroxyphenyl)-5-oxaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 136560980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).