3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide

C13H20N2O2 — CID 114174076

IUPAC3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(N)c1O
InChIInChI=1S/C13H20N2O2/c1-4-13(3,5-2)15-12(17)9-7-6-8-10(14)11(9)16/h6-8,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyPTNNRPDHRUAICF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide

3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide (PubChem CID 114174076) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
PubChem CID114174076
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(N)c1O
InChIInChI=1S/C13H20N2O2/c1-4-13(3,5-2)15-12(17)9-7-6-8-10(14)11(9)16/h6-8,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyPTNNRPDHRUAICF-UHFFFAOYSA-N
XLogP2.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-hydroxy-N-(2-methylpentan-2-yl)benzamide
CID 113471534
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
3-amino-2-hydroxy-N-pent-3-ynylbenzamide
CID 116642602
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide (CID 114174076) is 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1cccc(N)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is PTNNRPDHRUAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(3,5-2)15-12(17)9-7-6-8-10(14)11(9)16/h6-8,16H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 114174076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).