methyl 6-[(3-phenoxybenzoyl)amino]hexanoate

C20H23NO4 — CID 31839416

IUPACmethyl 6-[(3-phenoxybenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-24-19(22)13-6-3-7-14-21-20(23)16-9-8-12-18(15-16)25-17-10-4-2-5-11-17/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,21,23)
InChIKeyNIQWDVKUNAPSLG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds9

About methyl 6-[(3-phenoxybenzoyl)amino]hexanoate

methyl 6-[(3-phenoxybenzoyl)amino]hexanoate (PubChem CID 31839416) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 6-[(3-phenoxybenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-phenoxybenzoyl)amino]hexanoate
PubChem CID31839416
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 6-[(3-phenoxybenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-24-19(22)13-6-3-7-14-21-20(23)16-9-8-12-18(15-16)25-17-10-4-2-5-11-17/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,21,23)
InChIKeyNIQWDVKUNAPSLG-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
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 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
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 6-[(3-phenoxybenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-phenoxybenzoyl)amino]hexanoate (CID 31839416) is methyl 6-[(3-phenoxybenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-phenoxybenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-phenoxybenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl 6-[(3-phenoxybenzoyl)amino]hexanoate?
The InChIKey is NIQWDVKUNAPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-19(22)13-6-3-7-14-21-20(23)16-9-8-12-18(15-16)25-17-10-4-2-5-11-17/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,21,23).
What are the key properties of methyl 6-[(3-phenoxybenzoyl)amino]hexanoate?
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate has a molecular weight of 341.41 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-phenoxybenzoyl)amino]hexanoate is sourced from PubChem (CID 31839416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).