4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide

C13H18N2O3 — CID 114240743

IUPAC4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
SMILESCC1COCCC1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-8-7-18-5-4-11(8)15-13(17)9-2-3-10(14)12(16)6-9/h2-3,6,8,11,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyCGTVHSNUKYEKSA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.13
Rot. Bonds2

About 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide

4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide (PubChem CID 114240743) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
PubChem CID114240743
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
SMILESCC1COCCC1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-8-7-18-5-4-11(8)15-13(17)9-2-3-10(14)12(16)6-9/h2-3,6,8,11,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyCGTVHSNUKYEKSA-UHFFFAOYSA-N
XLogP1.13
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
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-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 133265575
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
CID 166229070
2-fluoro-N-(3-methyloxan-4-yl)-5-sulfanylbenzamide
CID 114241561
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide (CID 114240743) is 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide is CC1COCCC1NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide?
The InChIKey is CGTVHSNUKYEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-7-18-5-4-11(8)15-13(17)9-2-3-10(14)12(16)6-9/h2-3,6,8,11,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide?
4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide is sourced from PubChem (CID 114240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).