[4-[1-(methoxyamino)ethyl]phenyl]urea

C10H15N3O2 — CID 82706415

IUPAC[4-[1-(methoxyamino)ethyl]phenyl]urea
SMILESCONC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H15N3O2/c1-7(13-15-2)8-3-5-9(6-4-8)12-10(11)14/h3-7,13H,1-2H3,(H3,11,12,14)
InChIKeyMBKKHAQTVQOZGB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.39
Rot. Bonds4

About [4-[1-(methoxyamino)ethyl]phenyl]urea

[4-[1-(methoxyamino)ethyl]phenyl]urea (PubChem CID 82706415) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [4-[1-(methoxyamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(methoxyamino)ethyl]phenyl]urea
PubChem CID82706415
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[4-[1-(methoxyamino)ethyl]phenyl]urea
SMILESCONC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H15N3O2/c1-7(13-15-2)8-3-5-9(6-4-8)12-10(11)14/h3-7,13H,1-2H3,(H3,11,12,14)
InChIKeyMBKKHAQTVQOZGB-UHFFFAOYSA-N
XLogP1.39
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851

Frequently Asked Questions

What is the IUPAC name of [4-[1-(methoxyamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(methoxyamino)ethyl]phenyl]urea (CID 82706415) is [4-[1-(methoxyamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(methoxyamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(methoxyamino)ethyl]phenyl]urea is CONC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(methoxyamino)ethyl]phenyl]urea?
The InChIKey is MBKKHAQTVQOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(13-15-2)8-3-5-9(6-4-8)12-10(11)14/h3-7,13H,1-2H3,(H3,11,12,14).
What are the key properties of [4-[1-(methoxyamino)ethyl]phenyl]urea?
[4-[1-(methoxyamino)ethyl]phenyl]urea has a molecular weight of 209.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(methoxyamino)ethyl]phenyl]urea is sourced from PubChem (CID 82706415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).