[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea

C15H23N3O2 — CID 61039249

IUPAC[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCC1CCCO1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-11(17-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)18-15(16)19/h4-7,11,14,17H,2-3,8-10H2,1H3,(H3,16,18,19)
InChIKeyOMCDRFDXHQXPME-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.40
Rot. Bonds6

About [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea

[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea (PubChem CID 61039249) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
PubChem CID61039249
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCC1CCCO1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-11(17-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)18-15(16)19/h4-7,11,14,17H,2-3,8-10H2,1H3,(H3,16,18,19)
InChIKeyOMCDRFDXHQXPME-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea (CID 61039249) is [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea is CC(NCCC1CCCO1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea?
The InChIKey is OMCDRFDXHQXPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(17-9-8-14-3-2-10-20-14)12-4-6-13(7-5-12)18-15(16)19/h4-7,11,14,17H,2-3,8-10H2,1H3,(H3,16,18,19).
What are the key properties of [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea?
[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea has a molecular weight of 277.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea is sourced from PubChem (CID 61039249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).