ethyl 5-(phenylcarbamoylamino)pentanoate

C14H20N2O3 — CID 2308938

IUPACethyl 5-(phenylcarbamoylamino)pentanoate
SMILESCCOC(=O)CCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-19-13(17)10-6-7-11-15-14(18)16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,15,16,18)
InChIKeyLBRIBRIYLQOLGT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds7

About ethyl 5-(phenylcarbamoylamino)pentanoate

ethyl 5-(phenylcarbamoylamino)pentanoate (PubChem CID 2308938) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 5-(phenylcarbamoylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(phenylcarbamoylamino)pentanoate
PubChem CID2308938
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 5-(phenylcarbamoylamino)pentanoate
SMILESCCOC(=O)CCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-19-13(17)10-6-7-11-15-14(18)16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,15,16,18)
InChIKeyLBRIBRIYLQOLGT-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenylcarbamoylamino)pentanoate?
The IUPAC name of ethyl 5-(phenylcarbamoylamino)pentanoate (CID 2308938) is ethyl 5-(phenylcarbamoylamino)pentanoate.
What is the SMILES notation for ethyl 5-(phenylcarbamoylamino)pentanoate?
The canonical SMILES for ethyl 5-(phenylcarbamoylamino)pentanoate is CCOC(=O)CCCCNC(=O)Nc1ccccc1.
What is the InChIKey of ethyl 5-(phenylcarbamoylamino)pentanoate?
The InChIKey is LBRIBRIYLQOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-13(17)10-6-7-11-15-14(18)16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 5-(phenylcarbamoylamino)pentanoate?
ethyl 5-(phenylcarbamoylamino)pentanoate has a molecular weight of 264.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenylcarbamoylamino)pentanoate is sourced from PubChem (CID 2308938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).