N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide

C14H19N3O4 — CID 144516346

IUPACN-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESCONC(=O)C1CN([C@@H](C)c2ccc(OC)cc2)C(=O)N1
InChIInChI=1S/C14H19N3O4/c1-9(10-4-6-11(20-2)7-5-10)17-8-12(15-14(17)19)13(18)16-21-3/h4-7,9,12H,8H2,1-3H3,(H,15,19)(H,16,18)/t9-,12?/m0/s1
InChIKeyQSJATASACPTMFG-QHGLUPRGSA-N
MW293.32 g/mol
LogP0.83
Rot. Bonds5

About N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide

N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 144516346) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID144516346
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESCONC(=O)C1CN([C@@H](C)c2ccc(OC)cc2)C(=O)N1
InChIInChI=1S/C14H19N3O4/c1-9(10-4-6-11(20-2)7-5-10)17-8-12(15-14(17)19)13(18)16-21-3/h4-7,9,12H,8H2,1-3H3,(H,15,19)(H,16,18)/t9-,12?/m0/s1
InChIKeyQSJATASACPTMFG-QHGLUPRGSA-N
XLogP0.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide (CID 144516346) is N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide is CONC(=O)C1CN([C@@H](C)c2ccc(OC)cc2)C(=O)N1.
What is the InChIKey of N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QSJATASACPTMFG-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(10-4-6-11(20-2)7-5-10)17-8-12(15-14(17)19)13(18)16-21-3/h4-7,9,12H,8H2,1-3H3,(H,15,19)(H,16,18)/t9-,12?/m0/s1.
What are the key properties of N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 144516346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).