3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea

C14H23N3O2 — CID 83120713

IUPAC3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(C)(O)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-14(19,12-7-5-4-6-8-12)11-15-9-10-16-13(18)17(2)3/h4-8,15,19H,9-11H2,1-3H3,(H,16,18)
InChIKeyGLKAZWHHPSGMPG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds6

About 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83120713) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
PubChem CID83120713
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(C)(O)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-14(19,12-7-5-4-6-8-12)11-15-9-10-16-13(18)17(2)3/h4-8,15,19H,9-11H2,1-3H3,(H,16,18)
InChIKeyGLKAZWHHPSGMPG-UHFFFAOYSA-N
XLogP0.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
CID 83116955
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
CID 134836754
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-[2-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]-1,1-dimethylurea
CID 83116818
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea (CID 83120713) is 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC(C)(O)c1ccccc1.
What is the InChIKey of 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is GLKAZWHHPSGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(19,12-7-5-4-6-8-12)11-15-9-10-16-13(18)17(2)3/h4-8,15,19H,9-11H2,1-3H3,(H,16,18).
What are the key properties of 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 265.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83120713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).