1,1-dimethyl-3-octyl-3-phenylmethoxyurea

C18H30N2O2 — CID 14227207

IUPAC1,1-dimethyl-3-octyl-3-phenylmethoxyurea
SMILESCCCCCCCCN(OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C18H30N2O2/c1-4-5-6-7-8-12-15-20(18(21)19(2)3)22-16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3
InChIKeyRVBZJARINZZCRO-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.46
Rot. Bonds10

About 1,1-dimethyl-3-octyl-3-phenylmethoxyurea

1,1-dimethyl-3-octyl-3-phenylmethoxyurea (PubChem CID 14227207) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1,1-dimethyl-3-octyl-3-phenylmethoxyurea.

Molecular Properties

Compound Name1,1-dimethyl-3-octyl-3-phenylmethoxyurea
PubChem CID14227207
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1,1-dimethyl-3-octyl-3-phenylmethoxyurea
SMILESCCCCCCCCN(OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C18H30N2O2/c1-4-5-6-7-8-12-15-20(18(21)19(2)3)22-16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3
InChIKeyRVBZJARINZZCRO-UHFFFAOYSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide
CID 88959314
N-pentyl-N-phenylmethoxyformamide
CID 88956477
tert-butyl 2-[nonyl(phenylmethoxy)amino]acetate
CID 53238160
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
2-[2-azaniumylhexadecanoyl(phenylmethoxy)amino]ethyl-trimethylazanium
CID 91933613
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442
benzyl acetate;dodecane
CID 138609592
2-[2-aminododecanoyl(phenylmethoxy)amino]ethyl-trimethylazanium;chloride;hydrochloride
CID 118705559
N,N-dihexyl-3-phenylpropanamide
CID 532921
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
benzyl heptadecanoate
CID 522569
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-octyl-3-phenylmethoxyurea?
The IUPAC name of 1,1-dimethyl-3-octyl-3-phenylmethoxyurea (CID 14227207) is 1,1-dimethyl-3-octyl-3-phenylmethoxyurea.
What is the SMILES notation for 1,1-dimethyl-3-octyl-3-phenylmethoxyurea?
The canonical SMILES for 1,1-dimethyl-3-octyl-3-phenylmethoxyurea is CCCCCCCCN(OCc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-octyl-3-phenylmethoxyurea?
The InChIKey is RVBZJARINZZCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-5-6-7-8-12-15-20(18(21)19(2)3)22-16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3.
What are the key properties of 1,1-dimethyl-3-octyl-3-phenylmethoxyurea?
1,1-dimethyl-3-octyl-3-phenylmethoxyurea has a molecular weight of 306.45 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-octyl-3-phenylmethoxyurea is sourced from PubChem (CID 14227207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).