1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one

C14H21N3O3 — CID 63363032

IUPAC1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CNCCN2CCNC2=O)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-19-12-4-3-11(13(9-12)20-2)10-15-5-7-17-8-6-16-14(17)18/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyCXPDFFPEIKFLLK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.82
Rot. Bonds7

About 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 63363032) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID63363032
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESCOc1ccc(CNCCN2CCNC2=O)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-19-12-4-3-11(13(9-12)20-2)10-15-5-7-17-8-6-16-14(17)18/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyCXPDFFPEIKFLLK-UHFFFAOYSA-N
XLogP0.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperazine-2,3-dione;hydrochloride
CID 139953981
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
CID 112669012
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one (CID 63363032) is 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one is COc1ccc(CNCCN2CCNC2=O)c(OC)c1.
What is the InChIKey of 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is CXPDFFPEIKFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-4-3-11(13(9-12)20-2)10-15-5-7-17-8-6-16-14(17)18/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 63363032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).