3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H20N2O3 — CID 106119090

IUPAC3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCC2CCC(O)CC2)c1O
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-11(13(12)18)14(19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,17-18H,4-8,15H2,(H,16,19)
InChIKeySDEVJYFJBWQJPT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide

3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106119090) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID106119090
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESNc1cccc(C(=O)NCC2CCC(O)CC2)c1O
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-11(13(12)18)14(19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,17-18H,4-8,15H2,(H,16,19)
InChIKeySDEVJYFJBWQJPT-UHFFFAOYSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
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

N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106119090) is 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide is Nc1cccc(C(=O)NCC2CCC(O)CC2)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is SDEVJYFJBWQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-3-1-2-11(13(12)18)14(19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,17-18H,4-8,15H2,(H,16,19).
What are the key properties of 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide?
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106119090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).