methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride

C15H23ClN2O3 — CID 120617889

IUPACmethyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
SMILESCOC(=O)CCCCCNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-7-8-12(16)10-13(11)15(19)17-9-5-3-4-6-14(18)20-2;/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19);1H
InChIKeyCHEWVUHBVLORGS-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.46
Rot. Bonds7

About methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride

methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride (PubChem CID 120617889) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
PubChem CID120617889
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Namemethyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
SMILESCOC(=O)CCCCCNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-7-8-12(16)10-13(11)15(19)17-9-5-3-4-6-14(18)20-2;/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19);1H
InChIKeyCHEWVUHBVLORGS-UHFFFAOYSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride?
The IUPAC name of methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride (CID 120617889) is methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride.
What is the SMILES notation for methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride?
The canonical SMILES for methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride is COC(=O)CCCCCNC(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride?
The InChIKey is CHEWVUHBVLORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-7-8-12(16)10-13(11)15(19)17-9-5-3-4-6-14(18)20-2;/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19);1H.
What are the key properties of methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride?
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride is sourced from PubChem (CID 120617889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).