ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate

C15H20N2O4 — CID 38882652

IUPACethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-21-14(19)5-4-10-16-15(20)17-13-8-6-12(7-9-13)11(2)18/h6-9H,3-5,10H2,1-2H3,(H2,16,17,20)
InChIKeyUOLJWTBVCJXATQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.35
Rot. Bonds7

About ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate

ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate (PubChem CID 38882652) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
PubChem CID38882652
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CCCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-21-14(19)5-4-10-16-15(20)17-13-8-6-12(7-9-13)11(2)18/h6-9H,3-5,10H2,1-2H3,(H2,16,17,20)
InChIKeyUOLJWTBVCJXATQ-UHFFFAOYSA-N
XLogP2.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.35
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 4-[(4-methylsulfanylphenyl)carbamoylamino]butanoate
CID 3705262
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946700
1-(4-acetylphenyl)-3-(4-cyanobutyl)urea
CID 63297190
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate?
The IUPAC name of ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate (CID 38882652) is ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate.
What is the SMILES notation for ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate?
The canonical SMILES for ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate is CCOC(=O)CCCNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate?
The InChIKey is UOLJWTBVCJXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-14(19)5-4-10-16-15(20)17-13-8-6-12(7-9-13)11(2)18/h6-9H,3-5,10H2,1-2H3,(H2,16,17,20).
What are the key properties of ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate?
ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate has a molecular weight of 292.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate is sourced from PubChem (CID 38882652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).