1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide

C14H19N3O3 — CID 134792996

IUPAC1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H19N3O3/c1-20-8-7-15-13(18)12-10-17(14(19)16-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyKQWJWQVPAXZGKV-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.34
Rot. Bonds6

About 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide

1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 134792996) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID134792996
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCOCCNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H19N3O3/c1-20-8-7-15-13(18)12-10-17(14(19)16-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyKQWJWQVPAXZGKV-UHFFFAOYSA-N
XLogP0.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide (CID 134792996) is 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide is COCCNC(=O)C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KQWJWQVPAXZGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-8-7-15-13(18)12-10-17(14(19)16-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide?
1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxyethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 134792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).