5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride

C15H25ClN2O2 — CID 120632540

IUPAC5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-11(5-2)14(18)9-17-15(19)13-8-12(16)7-6-10(13)3;/h6-8,11,14,18H,4-5,9,16H2,1-3H3,(H,17,19);1H
InChIKeyDXQFTFIMUOWQJC-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride

5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride (PubChem CID 120632540) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
PubChem CID120632540
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-11(5-2)14(18)9-17-15(19)13-8-12(16)7-6-10(13)3;/h6-8,11,14,18H,4-5,9,16H2,1-3H3,(H,17,19);1H
InChIKeyDXQFTFIMUOWQJC-UHFFFAOYSA-N
XLogP2.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.53
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-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
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5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
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2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
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N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
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methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
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CID 120625790

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride (CID 120632540) is 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride is CCC(CC)C(O)CNC(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride?
The InChIKey is DXQFTFIMUOWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-11(5-2)14(18)9-17-15(19)13-8-12(16)7-6-10(13)3;/h6-8,11,14,18H,4-5,9,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride?
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120632540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).