ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate

C18H26N4O4 — CID 8932030

IUPACethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C18H26N4O4/c1-4-26-18(25)22-9-7-21(8-10-22)12-16(23)20-17(24)19-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H2,19,20,23,24)
InChIKeyWYHSNPJVJATDEQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.73
Rot. Bonds4

About ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 8932030) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID8932030
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C18H26N4O4/c1-4-26-18(25)22-9-7-21(8-10-22)12-16(23)20-17(24)19-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H2,19,20,23,24)
InChIKeyWYHSNPJVJATDEQ-UHFFFAOYSA-N
XLogP1.73
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate (CID 8932030) is ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is WYHSNPJVJATDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-4-26-18(25)22-9-7-21(8-10-22)12-16(23)20-17(24)19-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3,(H2,19,20,23,24).
What are the key properties of ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8932030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).