1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

C16H21N3O3 — CID 146087666

IUPAC1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESO=C1Cc2cc(CNC(=O)NC3CCCOCC3)ccc2N1
InChIInChI=1S/C16H21N3O3/c20-15-9-12-8-11(3-4-14(12)19-15)10-17-16(21)18-13-2-1-6-22-7-5-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyXDECCGCHCUIKOA-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.55
Rot. Bonds3

About 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea

1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (PubChem CID 146087666) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
PubChem CID146087666
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
SMILESO=C1Cc2cc(CNC(=O)NC3CCCOCC3)ccc2N1
InChIInChI=1S/C16H21N3O3/c20-15-9-12-8-11(3-4-14(12)19-15)10-17-16(21)18-13-2-1-6-22-7-5-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyXDECCGCHCUIKOA-UHFFFAOYSA-N
XLogP1.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea with MolForge

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Related Compounds

N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
CID 115161516
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
CID 110793835
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
CID 110774980
4-cyclohexyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-2-carboxamide
CID 167745207
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941

Frequently Asked Questions

What is the IUPAC name of 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The IUPAC name of 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea (CID 146087666) is 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea.
What is the SMILES notation for 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The canonical SMILES for 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is O=C1Cc2cc(CNC(=O)NC3CCCOCC3)ccc2N1.
What is the InChIKey of 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
The InChIKey is XDECCGCHCUIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-9-12-8-11(3-4-14(12)19-15)10-17-16(21)18-13-2-1-6-22-7-5-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea?
1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea has a molecular weight of 303.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea is sourced from PubChem (CID 146087666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).