methyl 7-[(3-phenoxybenzoyl)amino]heptanoate

C21H25NO4 — CID 36622065

IUPACmethyl 7-[(3-phenoxybenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H25NO4/c1-25-20(23)14-7-2-3-8-15-22-21(24)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,22,24)
InChIKeyWOBNAPHMJOKTGV-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.33
Rot. Bonds10

About methyl 7-[(3-phenoxybenzoyl)amino]heptanoate

methyl 7-[(3-phenoxybenzoyl)amino]heptanoate (PubChem CID 36622065) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl 7-[(3-phenoxybenzoyl)amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(3-phenoxybenzoyl)amino]heptanoate
PubChem CID36622065
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl 7-[(3-phenoxybenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H25NO4/c1-25-20(23)14-7-2-3-8-15-22-21(24)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,22,24)
InChIKeyWOBNAPHMJOKTGV-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid
CID 18948300
methyl 4-benzamidobutanoate
CID 13197711
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
methyl 6-[(3-methyl-4-phenylbenzoyl)amino]hexanoate
CID 66690331
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31839813
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(3-phenoxybenzoyl)amino]heptanoate?
The IUPAC name of methyl 7-[(3-phenoxybenzoyl)amino]heptanoate (CID 36622065) is methyl 7-[(3-phenoxybenzoyl)amino]heptanoate.
What is the SMILES notation for methyl 7-[(3-phenoxybenzoyl)amino]heptanoate?
The canonical SMILES for methyl 7-[(3-phenoxybenzoyl)amino]heptanoate is COC(=O)CCCCCCNC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl 7-[(3-phenoxybenzoyl)amino]heptanoate?
The InChIKey is WOBNAPHMJOKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-25-20(23)14-7-2-3-8-15-22-21(24)17-10-9-13-19(16-17)26-18-11-5-4-6-12-18/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,22,24).
What are the key properties of methyl 7-[(3-phenoxybenzoyl)amino]heptanoate?
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate has a molecular weight of 355.43 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3-phenoxybenzoyl)amino]heptanoate is sourced from PubChem (CID 36622065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).