1-butyl-1-phenylmethoxyurea

C12H18N2O2 — CID 134883738

IUPAC1-butyl-1-phenylmethoxyurea
SMILESCCCCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-3-9-14(12(13)15)16-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,13,15)
InChIKeyOWSUAHAYGQOXSR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.30
Rot. Bonds6

About 1-butyl-1-phenylmethoxyurea

1-butyl-1-phenylmethoxyurea (PubChem CID 134883738) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-butyl-1-phenylmethoxyurea.

Molecular Properties

Compound Name1-butyl-1-phenylmethoxyurea
PubChem CID134883738
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-butyl-1-phenylmethoxyurea
SMILESCCCCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-3-9-14(12(13)15)16-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,13,15)
InChIKeyOWSUAHAYGQOXSR-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-Aminopentyl)(phenylmethoxy)carbamic acid tert-butyl ester
CID 10979777
(Benzyloxy)(butyl)amine
CID 18361386
Beloxamide
CID 27155
2-Butyl-1-phenylmethoxyguanidine
CID 11053221
1-Benzyl-1-ethyl-3-phenylmethoxyurea
CID 45874038
1-(2-Fluorobenzyl)-1-(2-fluorobenzyloxy)urea
CID 91511823
N-benzyloxy-N'-methylurea
CID 14227198
1-Benzyl-1-phenylmethoxyurea
CID 22444379
N-methyl-N-phenylmethoxyacetamide
CID 23400397
3-Phenyloxaziridine-2-carboxamide
CID 129932914
1-Methyl-1-phenylmethoxyurea
CID 130689491
N-ethyl-3-phenyloxaziridine-2-carboxamide
CID 134501340

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-phenylmethoxyurea?
The IUPAC name of 1-butyl-1-phenylmethoxyurea (CID 134883738) is 1-butyl-1-phenylmethoxyurea.
What is the SMILES notation for 1-butyl-1-phenylmethoxyurea?
The canonical SMILES for 1-butyl-1-phenylmethoxyurea is CCCCN(OCc1ccccc1)C(N)=O.
What is the InChIKey of 1-butyl-1-phenylmethoxyurea?
The InChIKey is OWSUAHAYGQOXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-9-14(12(13)15)16-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,13,15).
What are the key properties of 1-butyl-1-phenylmethoxyurea?
1-butyl-1-phenylmethoxyurea has a molecular weight of 222.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-phenylmethoxyurea is sourced from PubChem (CID 134883738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).