methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate

C16H24N2O3 — CID 120619661

IUPACmethyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H24N2O3/c1-12-8-9-13(17)11-14(12)16(20)18-10-6-4-3-5-7-15(19)21-2/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)
InChIKeySPJANYHVKVKIDL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds8

About methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate

methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate (PubChem CID 120619661) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
PubChem CID120619661
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H24N2O3/c1-12-8-9-13(17)11-14(12)16(20)18-10-6-4-3-5-7-15(19)21-2/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)
InChIKeySPJANYHVKVKIDL-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
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 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
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
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate?
The IUPAC name of methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate (CID 120619661) is methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate.
What is the SMILES notation for methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate?
The canonical SMILES for methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate is COC(=O)CCCCCCNC(=O)c1cc(N)ccc1C.
What is the InChIKey of methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate?
The InChIKey is SPJANYHVKVKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-8-9-13(17)11-14(12)16(20)18-10-6-4-3-5-7-15(19)21-2/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20).
What are the key properties of methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate?
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate has a molecular weight of 292.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate is sourced from PubChem (CID 120619661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).