4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide

C14H20N2O3 — CID 107075912

IUPAC4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
SMILESNc1ccc(C(=O)NC2CCCCCC2O)cc1O
InChIInChI=1S/C14H20N2O3/c15-10-7-6-9(8-13(10)18)14(19)16-11-4-2-1-3-5-12(11)17/h6-8,11-12,17-18H,1-5,15H2,(H,16,19)
InChIKeyKYPLJGNUNAUQFT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds2

About 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide

4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide (PubChem CID 107075912) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
PubChem CID107075912
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
SMILESNc1ccc(C(=O)NC2CCCCCC2O)cc1O
InChIInChI=1S/C14H20N2O3/c15-10-7-6-9(8-13(10)18)14(19)16-11-4-2-1-3-5-12(11)17/h6-8,11-12,17-18H,1-5,15H2,(H,16,19)
InChIKeyKYPLJGNUNAUQFT-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide (CID 107075912) is 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide is Nc1ccc(C(=O)NC2CCCCCC2O)cc1O.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
The InChIKey is KYPLJGNUNAUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-7-6-9(8-13(10)18)14(19)16-11-4-2-1-3-5-12(11)17/h6-8,11-12,17-18H,1-5,15H2,(H,16,19).
What are the key properties of 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide?
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide is sourced from PubChem (CID 107075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).