1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea

C15H21N3O2 — CID 24583495

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c19-14(18-10-6-1-2-7-11-18)12-16-15(20)17-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H2,16,17,20)
InChIKeyCJXVSUGPDYVZPT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea

1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea (PubChem CID 24583495) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
PubChem CID24583495
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c19-14(18-10-6-1-2-7-11-18)12-16-15(20)17-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H2,16,17,20)
InChIKeyCJXVSUGPDYVZPT-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea
CID 63105110
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
2-anilinosulfanyl-1-piperidin-1-ylethanone
CID 172705672
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide
CID 3495529
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
[2-(azocan-1-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 35236311
2-[(4-methylphenyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylguanidine;hydroiodide
CID 111058335
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea (CID 24583495) is 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea is O=C(NCC(=O)N1CCCCCC1)Nc1ccccc1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea?
The InChIKey is CJXVSUGPDYVZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(18-10-6-1-2-7-11-18)12-16-15(20)17-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H2,16,17,20).
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea?
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea has a molecular weight of 275.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea is sourced from PubChem (CID 24583495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).