N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide

C18H25NO3 — CID 148506055

IUPACN-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide
SMILESO=CNc1cccc(C(=O)CC2CCCCCCCC2)c1O
InChIInChI=1S/C18H25NO3/c20-13-19-16-11-7-10-15(18(16)22)17(21)12-14-8-5-3-1-2-4-6-9-14/h7,10-11,13-14,22H,1-6,8-9,12H2,(H,19,20)
InChIKeyMLPDOHIHHAWJAT-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide

N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide (PubChem CID 148506055) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide
PubChem CID148506055
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide
SMILESO=CNc1cccc(C(=O)CC2CCCCCCCC2)c1O
InChIInChI=1S/C18H25NO3/c20-13-19-16-11-7-10-15(18(16)22)17(21)12-14-8-5-3-1-2-4-6-9-14/h7,10-11,13-14,22H,1-6,8-9,12H2,(H,19,20)
InChIKeyMLPDOHIHHAWJAT-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
3-formamido-2-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 90024528
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
[2-[2-(3-formamido-2-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl] octanoate
CID 157305579
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide?
The IUPAC name of N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide (CID 148506055) is N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide.
What is the SMILES notation for N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide?
The canonical SMILES for N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide is O=CNc1cccc(C(=O)CC2CCCCCCCC2)c1O.
What is the InChIKey of N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide?
The InChIKey is MLPDOHIHHAWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-13-19-16-11-7-10-15(18(16)22)17(21)12-14-8-5-3-1-2-4-6-9-14/h7,10-11,13-14,22H,1-6,8-9,12H2,(H,19,20).
What are the key properties of N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide?
N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide has a molecular weight of 303.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclononylacetyl)-2-hydroxyphenyl]formamide is sourced from PubChem (CID 148506055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).