methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate

C18H26N2O4 — CID 31840736

IUPACmethyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2O4/c1-13-9-14(2)11-15(10-13)18(23)20-12-16(21)19-8-6-4-5-7-17(22)24-3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyOGYYZFDYCDAALO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.88
Rot. Bonds9

About methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate

methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate (PubChem CID 31840736) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
PubChem CID31840736
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2O4/c1-13-9-14(2)11-15(10-13)18(23)20-12-16(21)19-8-6-4-5-7-17(22)24-3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyOGYYZFDYCDAALO-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate (CID 31840736) is methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate?
The InChIKey is OGYYZFDYCDAALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-9-14(2)11-15(10-13)18(23)20-12-16(21)19-8-6-4-5-7-17(22)24-3/h9-11H,4-8,12H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate?
methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate has a molecular weight of 334.42 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate is sourced from PubChem (CID 31840736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).