methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate

C13H18N2O4 — CID 2485637

IUPACmethyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-18-11-7-4-3-6-10(11)15-13(17)14-9-5-8-12(16)19-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyXBHMKXCFZDQRJV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds6

About methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate

methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate (PubChem CID 2485637) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate
PubChem CID2485637
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate
SMILESCOC(=O)CCCNC(=O)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-18-11-7-4-3-6-10(11)15-13(17)14-9-5-8-12(16)19-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyXBHMKXCFZDQRJV-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate?
The IUPAC name of methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate (CID 2485637) is methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate?
The canonical SMILES for methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate is COC(=O)CCCNC(=O)Nc1ccccc1OC.
What is the InChIKey of methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate?
The InChIKey is XBHMKXCFZDQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-7-4-3-6-10(11)15-13(17)14-9-5-8-12(16)19-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate?
methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate has a molecular weight of 266.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxyphenyl)carbamoylamino]butanoate is sourced from PubChem (CID 2485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).