5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide

C14H22N2O2 — CID 120632622

IUPAC5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
SMILESCCC(C)C(O)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-9(2)13(17)8-16-14(18)12-7-11(15)6-5-10(12)3/h5-7,9,13,17H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyANJMPFXRNOKSOS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide

5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide (PubChem CID 120632622) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
PubChem CID120632622
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
SMILESCCC(C)C(O)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-9(2)13(17)8-16-14(18)12-7-11(15)6-5-10(12)3/h5-7,9,13,17H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyANJMPFXRNOKSOS-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
CID 120625790
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide (CID 120632622) is 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide is CCC(C)C(O)CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide?
The InChIKey is ANJMPFXRNOKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9(2)13(17)8-16-14(18)12-7-11(15)6-5-10(12)3/h5-7,9,13,17H,4,8,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide?
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 120632622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).