N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide

C18H26N2O3 — CID 142578377

IUPACN-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(C)(C)C(O)C(NC=O)(NC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-16(2)10-17(3,4)15(23)18(11-16,19-12-21)20-14(22)13-8-6-5-7-9-13/h5-9,12,15,23H,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNNUCOSOWYMYOKT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.07
Rot. Bonds4

About N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide

N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 142578377) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID142578377
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCC1(C)CC(C)(C)C(O)C(NC=O)(NC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-16(2)10-17(3,4)15(23)18(11-16,19-12-21)20-14(22)13-8-6-5-7-9-13/h5-9,12,15,23H,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNNUCOSOWYMYOKT-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R,5S)-1-benzamido-2,5-dihydroxy-4-methylcyclohexane-1-carboxylic acid
CID 101111926
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(3-methylpyrazol-3-yl)benzamide
CID 155144899
N-[[(3R,5R)-3,5-dimethyl-1-adamantyl]methyl]benzamide
CID 98095522
N-methylbenzamide
CID 11954
CID 70387554
CID 70387554
N'-[1-(trifluoromethyl)cyclobutyl]benzohydrazide
CID 146447607
N-ethylbenzamide
CID 160772566
N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
CID 10991985
(1S,6R)-1-benzamido-6-hydroxy-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 11346785

Frequently Asked Questions

What is the IUPAC name of N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide (CID 142578377) is N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide is CC1(C)CC(C)(C)C(O)C(NC=O)(NC(=O)c2ccccc2)C1.
What is the InChIKey of N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is NNUCOSOWYMYOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-16(2)10-17(3,4)15(23)18(11-16,19-12-21)20-14(22)13-8-6-5-7-9-13/h5-9,12,15,23H,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide?
N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formamido-2-hydroxy-3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 142578377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).