ethyl 6-(3-carbamoylanilino)hexanoate

C15H22N2O3 — CID 107808980

IUPACethyl 6-(3-carbamoylanilino)hexanoate
SMILESCCOC(=O)CCCCCNc1cccc(C(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-2-20-14(18)9-4-3-5-10-17-13-8-6-7-12(11-13)15(16)19/h6-8,11,17H,2-5,9-10H2,1H3,(H2,16,19)
InChIKeyLLONONCAMBQMJS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds9

About ethyl 6-(3-carbamoylanilino)hexanoate

ethyl 6-(3-carbamoylanilino)hexanoate (PubChem CID 107808980) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 6-(3-carbamoylanilino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(3-carbamoylanilino)hexanoate
PubChem CID107808980
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 6-(3-carbamoylanilino)hexanoate
SMILESCCOC(=O)CCCCCNc1cccc(C(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-2-20-14(18)9-4-3-5-10-17-13-8-6-7-12(11-13)15(16)19/h6-8,11,17H,2-5,9-10H2,1H3,(H2,16,19)
InChIKeyLLONONCAMBQMJS-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
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

ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
ethyl 4-(3-bromoanilino)butanoate
CID 67442615
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
ethyl 6-(4-formylanilino)hexanoate
CID 22448233
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 4-[3-[3-(5-chloropentylamino)benzoyl]-4-propan-2-ylpyrrol-1-yl]butanoate
CID 139750183
benzyl 7-[3-[5-(4-ethoxy-4-oxobutyl)-2-ethyl-1-methylpyrrole-3-carbonyl]anilino]heptanoate
CID 139750268
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
ethyl 3-anilinopropanoate
CID 10910393
ethyl 4-[4-[3-(butylamino)benzoyl]-5-ethyl-1-methylpyrrol-2-yl]butanoate
CID 139750142

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-carbamoylanilino)hexanoate?
The IUPAC name of ethyl 6-(3-carbamoylanilino)hexanoate (CID 107808980) is ethyl 6-(3-carbamoylanilino)hexanoate.
What is the SMILES notation for ethyl 6-(3-carbamoylanilino)hexanoate?
The canonical SMILES for ethyl 6-(3-carbamoylanilino)hexanoate is CCOC(=O)CCCCCNc1cccc(C(N)=O)c1.
What is the InChIKey of ethyl 6-(3-carbamoylanilino)hexanoate?
The InChIKey is LLONONCAMBQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-14(18)9-4-3-5-10-17-13-8-6-7-12(11-13)15(16)19/h6-8,11,17H,2-5,9-10H2,1H3,(H2,16,19).
What are the key properties of ethyl 6-(3-carbamoylanilino)hexanoate?
ethyl 6-(3-carbamoylanilino)hexanoate has a molecular weight of 278.35 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-carbamoylanilino)hexanoate is sourced from PubChem (CID 107808980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).