N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

C18H24N2O2 — CID 127322685

IUPACN-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C18H24N2O2/c21-16-7-5-15(6-8-16)13-19-17(22)20-12-4-11-18(14-20)9-2-1-3-10-18/h1-2,5-8,21H,3-4,9-14H2,(H,19,22)
InChIKeyJRBSFIXPKJUKIQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.42
Rot. Bonds2

About N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide (PubChem CID 127322685) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
PubChem CID127322685
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C18H24N2O2/c21-16-7-5-15(6-8-16)13-19-17(22)20-12-4-11-18(14-20)9-2-1-3-10-18/h1-2,5-8,21H,3-4,9-14H2,(H,19,22)
InChIKeyJRBSFIXPKJUKIQ-UHFFFAOYSA-N
XLogP3.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
CID 86952386
3-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 102557220
N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
CID 127322580
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 99808104
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 71853262
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 107654401
(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
4-[[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020119
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide (CID 127322685) is N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide is O=C(NCc1ccc(O)cc1)N1CCCC2(CC=CCC2)C1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The InChIKey is JRBSFIXPKJUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-16-7-5-15(6-8-16)13-19-17(22)20-12-4-11-18(14-20)9-2-1-3-10-18/h1-2,5-8,21H,3-4,9-14H2,(H,19,22).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide is sourced from PubChem (CID 127322685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).