N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide

C13H20N2O3 — CID 114148875

IUPACN-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
SMILESCC(C)(CCN)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3-4-14)8-15-12(18)9-5-10(16)7-11(17)6-9/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyQCAYSQRQZHDNSU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.20
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide

N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide (PubChem CID 114148875) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
PubChem CID114148875
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
SMILESCC(C)(CCN)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3-4-14)8-15-12(18)9-5-10(16)7-11(17)6-9/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyQCAYSQRQZHDNSU-UHFFFAOYSA-N
XLogP1.20
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106140156
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
CID 106141044
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide (CID 114148875) is N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide is CC(C)(CCN)CNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide?
The InChIKey is QCAYSQRQZHDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3-4-14)8-15-12(18)9-5-10(16)7-11(17)6-9/h5-7,16-17H,3-4,8,14H2,1-2H3,(H,15,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide?
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 114148875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).