1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea

C13H19N3O3 — CID 104762349

IUPAC1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2cccc(N)c2)CCOC1
InChIInChI=1S/C13H19N3O3/c1-18-13(5-6-19-9-13)8-15-12(17)16-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9,14H2,1H3,(H2,15,16,17)
InChIKeyCIYZJRAEXYTQJL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea

1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea (PubChem CID 104762349) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
PubChem CID104762349
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2cccc(N)c2)CCOC1
InChIInChI=1S/C13H19N3O3/c1-18-13(5-6-19-9-13)8-15-12(17)16-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9,14H2,1H3,(H2,15,16,17)
InChIKeyCIYZJRAEXYTQJL-UHFFFAOYSA-N
XLogP1.20
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyoxolan-3-yl)methylurea
CID 104704481
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
1-[(3-methoxyoxolan-3-yl)methyl]-3-phenylthiourea
CID 104704463
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
CID 126791651

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea?
The IUPAC name of 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea (CID 104762349) is 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea?
The canonical SMILES for 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea is COC1(CNC(=O)Nc2cccc(N)c2)CCOC1.
What is the InChIKey of 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea?
The InChIKey is CIYZJRAEXYTQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-13(5-6-19-9-13)8-15-12(17)16-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea?
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea has a molecular weight of 265.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea is sourced from PubChem (CID 104762349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).