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

C15H22N2O3 — CID 107728779

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H22N2O3/c1-14(2)12(16)15(3,4)13(14)17-11(20)8-5-6-9(18)10(19)7-8/h5-7,12-13,18-19H,16H2,1-4H3,(H,17,20)
InChIKeyNIBIQSLNRDGVLD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds2

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide (PubChem CID 107728779) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
PubChem CID107728779
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H22N2O3/c1-14(2)12(16)15(3,4)13(14)17-11(20)8-5-6-9(18)10(19)7-8/h5-7,12-13,18-19H,16H2,1-4H3,(H,17,20)
InChIKeyNIBIQSLNRDGVLD-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
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-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107727566
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-indole-5-carboxamide
CID 79698493
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
CID 79711256
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
3,4-dihydroxy-N-methoxybenzamide
CID 103956380

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide (CID 107728779) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide?
The InChIKey is NIBIQSLNRDGVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2)12(16)15(3,4)13(14)17-11(20)8-5-6-9(18)10(19)7-8/h5-7,12-13,18-19H,16H2,1-4H3,(H,17,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 107728779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).