ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate

C15H20N2O4 — CID 113061688

IUPACethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)16-9-10-17(12(3)19)14-7-5-13(6-8-14)11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyIIEHVMQWVFZLSY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.99
Rot. Bonds6

About ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate

ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate (PubChem CID 113061688) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
PubChem CID113061688
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)16-9-10-17(12(3)19)14-7-5-13(6-8-14)11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyIIEHVMQWVFZLSY-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
ethyl 4-[acetyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]benzoate
CID 113063271
ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113063225
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate (CID 113061688) is ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate?
The InChIKey is IIEHVMQWVFZLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-21-15(20)16-9-10-17(12(3)19)14-7-5-13(6-8-14)11(2)18/h5-8H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate?
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate is sourced from PubChem (CID 113061688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).