ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate

C14H18N2O4 — CID 37260222

IUPACethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-12(17)4-3-9-16-14(19)11-7-5-10(6-8-11)13(15)18/h5-8H,2-4,9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyVYQPVJBAIQJIHJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.86
Rot. Bonds7

About ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate

ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate (PubChem CID 37260222) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
PubChem CID37260222
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-12(17)4-3-9-16-14(19)11-7-5-10(6-8-11)13(15)18/h5-8H,2-4,9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyVYQPVJBAIQJIHJ-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
ethyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]butanoate
CID 78785631
ethyl 4-[(3-chloro-4-iodobenzoyl)amino]butanoate
CID 103734908
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025
ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
CID 102712457
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
ethyl 4-[[3-(bromomethyl)benzoyl]amino]butanoate
CID 59127058

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate?
The IUPAC name of ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate (CID 37260222) is ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate?
The InChIKey is VYQPVJBAIQJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-12(17)4-3-9-16-14(19)11-7-5-10(6-8-11)13(15)18/h5-8H,2-4,9H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate?
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate has a molecular weight of 278.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate is sourced from PubChem (CID 37260222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).