(phenylmethoxyamino)urea

C8H11N3O2 — CID 67928507

IUPAC(phenylmethoxyamino)urea
SMILESNC(=O)NNOCc1ccccc1
InChIInChI=1S/C8H11N3O2/c9-8(12)10-11-13-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12)
InChIKeySYNYEWDIBGMELF-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.29
Rot. Bonds4

About (phenylmethoxyamino)urea

(phenylmethoxyamino)urea (PubChem CID 67928507) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is (phenylmethoxyamino)urea.

Molecular Properties

Compound Name(phenylmethoxyamino)urea
PubChem CID67928507
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name(phenylmethoxyamino)urea
SMILESNC(=O)NNOCc1ccccc1
InChIInChI=1S/C8H11N3O2/c9-8(12)10-11-13-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12)
InChIKeySYNYEWDIBGMELF-UHFFFAOYSA-N
XLogP0.29
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(carbamoylamino)carbamate
CID 141421180
(phenoxyamino)urea
CID 67928510
1-methyl-3-phenylmethoxyurea
CID 14227198
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852
benzyl carbamate;heptahydrochloride
CID 141351835
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
acetic acid;phenylmethoxymethylbenzene
CID 175214238
CID 174906307
CID 174906307
benzyl acetate;carbamic acid
CID 159542161
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556

Frequently Asked Questions

What is the IUPAC name of (phenylmethoxyamino)urea?
The IUPAC name of (phenylmethoxyamino)urea (CID 67928507) is (phenylmethoxyamino)urea.
What is the SMILES notation for (phenylmethoxyamino)urea?
The canonical SMILES for (phenylmethoxyamino)urea is NC(=O)NNOCc1ccccc1.
What is the InChIKey of (phenylmethoxyamino)urea?
The InChIKey is SYNYEWDIBGMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(12)10-11-13-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H3,9,10,12).
What are the key properties of (phenylmethoxyamino)urea?
(phenylmethoxyamino)urea has a molecular weight of 181.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (phenylmethoxyamino)urea is sourced from PubChem (CID 67928507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).