N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide

C14H22N2O3 — CID 107705211

IUPACN-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)13(15)4-5-16(3)14(19)10-6-11(17)8-12(18)7-10/h6-9,13,17-18H,4-5,15H2,1-3H3
InChIKeyLIZAFJDDFYNPEJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.54
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide

N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide (PubChem CID 107705211) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
PubChem CID107705211
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H22N2O3/c1-9(2)13(15)4-5-16(3)14(19)10-6-11(17)8-12(18)7-10/h6-9,13,17-18H,4-5,15H2,1-3H3
InChIKeyLIZAFJDDFYNPEJ-UHFFFAOYSA-N
XLogP1.54
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-chlorobutyl)-3,5-dihydroxy-N-methylbenzamide
CID 107706167
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide (CID 107705211) is N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is LIZAFJDDFYNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)13(15)4-5-16(3)14(19)10-6-11(17)8-12(18)7-10/h6-9,13,17-18H,4-5,15H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107705211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).