1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea

C16H18N2O2 — CID 23183847

IUPAC1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
SMILESCCN(CO)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-17(13-19)16(20)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3
InChIKeyDVMNAINZBXDYRG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.22
Rot. Bonds4

About 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea

1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea (PubChem CID 23183847) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea.

Molecular Properties

Compound Name1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
PubChem CID23183847
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
SMILESCCN(CO)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-17(13-19)16(20)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3
InChIKeyDVMNAINZBXDYRG-UHFFFAOYSA-N
XLogP3.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
N,N-diethyl-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 51362044
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780
butane;1,1-diphenylurea
CID 70397101
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
CID 66696852
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea?
The IUPAC name of 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea (CID 23183847) is 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea.
What is the SMILES notation for 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea?
The canonical SMILES for 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea is CCN(CO)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea?
The InChIKey is DVMNAINZBXDYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-17(13-19)16(20)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3.
What are the key properties of 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea?
1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea has a molecular weight of 270.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea is sourced from PubChem (CID 23183847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).