N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide

C14H22N2O3 — CID 107727577

IUPACN-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
SMILESCC(C)(C)CC(N)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)7-10(15)8-16-13(19)9-4-5-11(17)12(18)6-9/h4-6,10,17-18H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyJRQPGJDMMPJUOS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.59
Rot. Bonds4

About N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide

N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide (PubChem CID 107727577) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
PubChem CID107727577
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
SMILESCC(C)(C)CC(N)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)7-10(15)8-16-13(19)9-4-5-11(17)12(18)6-9/h4-6,10,17-18H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyJRQPGJDMMPJUOS-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
N-(3-chloro-2,2-dimethylpropyl)-3,4-dihydroxybenzamide
CID 107729054
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423
3,4-dihydroxy-N-[(2R,4R)-2,3,4,5,6-pentahydroxyhexyl]benzamide
CID 118232754
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide (CID 107727577) is N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide is CC(C)(C)CC(N)CNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide?
The InChIKey is JRQPGJDMMPJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)7-10(15)8-16-13(19)9-4-5-11(17)12(18)6-9/h4-6,10,17-18H,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide?
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 107727577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).