N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide

C16H24N2O3 — CID 121497136

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCCCCC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-21-15-11-13(7-8-14(15)19)12-17-16(20)18-9-5-3-2-4-6-10-18/h7-8,11,19H,2-6,9-10,12H2,1H3,(H,17,20)
InChIKeyKQDKKILDCJVREV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.88
Rot. Bonds3

About N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide (PubChem CID 121497136) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
PubChem CID121497136
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCCCCC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-21-15-11-13(7-8-14(15)19)12-17-16(20)18-9-5-3-2-4-6-10-18/h7-8,11,19H,2-6,9-10,12H2,1H3,(H,17,20)
InChIKeyKQDKKILDCJVREV-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126452602
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
(E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one
CID 11630663
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide (CID 121497136) is N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide is COc1cc(CNC(=O)N2CCCCCCC2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide?
The InChIKey is KQDKKILDCJVREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-15-11-13(7-8-14(15)19)12-17-16(20)18-9-5-3-2-4-6-10-18/h7-8,11,19H,2-6,9-10,12H2,1H3,(H,17,20).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide is sourced from PubChem (CID 121497136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).