[3-[(2-methyloxolan-3-yl)amino]phenyl]urea

C12H17N3O2 — CID 82727169

IUPAC[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
SMILESCC1OCCC1Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-11(5-6-17-8)14-9-3-2-4-10(7-9)15-12(13)16/h2-4,7-8,11,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeyPEIGGDNUKBQCLH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.77
Rot. Bonds3

About [3-[(2-methyloxolan-3-yl)amino]phenyl]urea

[3-[(2-methyloxolan-3-yl)amino]phenyl]urea (PubChem CID 82727169) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [3-[(2-methyloxolan-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
PubChem CID82727169
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
SMILESCC1OCCC1Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-11(5-6-17-8)14-9-3-2-4-10(7-9)15-12(13)16/h2-4,7-8,11,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeyPEIGGDNUKBQCLH-UHFFFAOYSA-N
XLogP1.77
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727685
[3-(methylamino)phenyl]urea
CID 23558981
N-[(2-fluorophenyl)methyl]-3-[[(2R,3S)-2-methyloxolan-3-yl]amino]benzamide
CID 97255038
N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide
CID 97255039
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyloxolan-3-yl)amino]phenyl]urea?
The IUPAC name of [3-[(2-methyloxolan-3-yl)amino]phenyl]urea (CID 82727169) is [3-[(2-methyloxolan-3-yl)amino]phenyl]urea.
What is the SMILES notation for [3-[(2-methyloxolan-3-yl)amino]phenyl]urea?
The canonical SMILES for [3-[(2-methyloxolan-3-yl)amino]phenyl]urea is CC1OCCC1Nc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-[(2-methyloxolan-3-yl)amino]phenyl]urea?
The InChIKey is PEIGGDNUKBQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-11(5-6-17-8)14-9-3-2-4-10(7-9)15-12(13)16/h2-4,7-8,11,14H,5-6H2,1H3,(H3,13,15,16).
What are the key properties of [3-[(2-methyloxolan-3-yl)amino]phenyl]urea?
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea has a molecular weight of 235.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyloxolan-3-yl)amino]phenyl]urea is sourced from PubChem (CID 82727169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).