1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea

C19H25N3O2 — CID 112503366

IUPAC1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
SMILESO=C(NCC(c1ccco1)N1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C19H25N3O2/c23-19(21-16-9-4-3-5-10-16)20-15-17(18-11-8-14-24-18)22-12-6-1-2-7-13-22/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H2,20,21,23)
InChIKeyRAGOQEUISWQOEV-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.02
Rot. Bonds5

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

1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea (PubChem CID 112503366) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
PubChem CID112503366
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
SMILESO=C(NCC(c1ccco1)N1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C19H25N3O2/c23-19(21-16-9-4-3-5-10-16)20-15-17(18-11-8-14-24-18)22-12-6-1-2-7-13-22/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H2,20,21,23)
InChIKeyRAGOQEUISWQOEV-UHFFFAOYSA-N
XLogP4.02
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 86988689
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111007664
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167903850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea (CID 112503366) is 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea is O=C(NCC(c1ccco1)N1CCCCCC1)Nc1ccccc1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea?
The InChIKey is RAGOQEUISWQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(21-16-9-4-3-5-10-16)20-15-17(18-11-8-14-24-18)22-12-6-1-2-7-13-22/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H2,20,21,23).
What are the key properties of 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea?
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea has a molecular weight of 327.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 112503366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).