4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide

C13H20N2O2 — CID 107074043

IUPAC4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)6-9(3)15-13(17)10-4-5-11(14)12(16)7-10/h4-5,7-9,16H,6,14H2,1-3H3,(H,15,17)
InChIKeyQDPFDNKRVQDNBX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide

4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide (PubChem CID 107074043) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
PubChem CID107074043
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-8(2)6-9(3)15-13(17)10-4-5-11(14)12(16)7-10/h4-5,7-9,16H,6,14H2,1-3H3,(H,15,17)
InChIKeyQDPFDNKRVQDNBX-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-amino-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 62154951
4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107075942
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107673367
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 97239157
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide (CID 107074043) is 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is QDPFDNKRVQDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)6-9(3)15-13(17)10-4-5-11(14)12(16)7-10/h4-5,7-9,16H,6,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide?
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 107074043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).