ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate

C14H16N4O3 — CID 47078318

IUPACethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-21-14(20)16-9-13(19)17-11-3-5-12(6-4-11)18-8-7-15-10-18/h3-8,10H,2,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyVIARDCUOVFBCMP-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.56
Rot. Bonds5

About ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate

ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate (PubChem CID 47078318) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
PubChem CID47078318
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-21-14(20)16-9-13(19)17-11-3-5-12(6-4-11)18-8-7-15-10-18/h3-8,10H,2,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyVIARDCUOVFBCMP-UHFFFAOYSA-N
XLogP1.56
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate (CID 47078318) is ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate?
The InChIKey is VIARDCUOVFBCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-21-14(20)16-9-13(19)17-11-3-5-12(6-4-11)18-8-7-15-10-18/h3-8,10H,2,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate?
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate has a molecular weight of 288.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 47078318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).