4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide

C16H21N3O4 — CID 146084355

IUPAC4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCOC2)cc1N1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-16(5-8-23-10-16)18-14(20)11-3-4-13(22-2)12(9-11)19-7-6-17-15(19)21/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyKREFVOMFXVGDDV-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.13
Rot. Bonds4

About 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide

4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 146084355) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID146084355
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCOC2)cc1N1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-16(5-8-23-10-16)18-14(20)11-3-4-13(22-2)12(9-11)19-7-6-17-15(19)21/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyKREFVOMFXVGDDV-UHFFFAOYSA-N
XLogP1.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
4-methoxy-N-[6-(4-methylphenyl)-2-pyridinyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 167810018
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 154740646

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide (CID 146084355) is 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide is COc1ccc(C(=O)NC2(C)CCOC2)cc1N1CCNC1=O.
What is the InChIKey of 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is KREFVOMFXVGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(5-8-23-10-16)18-14(20)11-3-4-13(22-2)12(9-11)19-7-6-17-15(19)21/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 146084355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).