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

C16H19N3O2 — CID 82712739

IUPAC[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
SMILESCC(NOCc1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-12(19-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)18-16(17)20/h2-10,12,19H,11H2,1H3,(H3,17,18,20)
InChIKeyIHXJAPVYFJOZGN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.96
Rot. Bonds6

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

[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea (PubChem CID 82712739) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
PubChem CID82712739
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
SMILESCC(NOCc1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-12(19-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)18-16(17)20/h2-10,12,19H,11H2,1H3,(H3,17,18,20)
InChIKeyIHXJAPVYFJOZGN-UHFFFAOYSA-N
XLogP2.96
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.96
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

[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
CID 8657811
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide
CID 78066485
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917

Frequently Asked Questions

What is the IUPAC name of [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea (CID 82712739) is [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea is CC(NOCc1ccccc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea?
The InChIKey is IHXJAPVYFJOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(19-21-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)18-16(17)20/h2-10,12,19H,11H2,1H3,(H3,17,18,20).
What are the key properties of [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea?
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(phenylmethoxyamino)ethyl]phenyl]urea is sourced from PubChem (CID 82712739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).