3-[3-(dimethylamino)propyl]-1,1-diphenylurea

C18H23N3O — CID 3525114

IUPAC3-[3-(dimethylamino)propyl]-1,1-diphenylurea
SMILESCN(C)CCCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-20(2)15-9-14-19-18(22)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,19,22)
InChIKeySTFSUSJRZYBMKN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.49
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-1,1-diphenylurea

3-[3-(dimethylamino)propyl]-1,1-diphenylurea (PubChem CID 3525114) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1,1-diphenylurea
PubChem CID3525114
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[3-(dimethylamino)propyl]-1,1-diphenylurea
SMILESCN(C)CCCNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-20(2)15-9-14-19-18(22)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,19,22)
InChIKeySTFSUSJRZYBMKN-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea
CID 68640111
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1,1-diphenylurea?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1,1-diphenylurea (CID 3525114) is 3-[3-(dimethylamino)propyl]-1,1-diphenylurea.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1,1-diphenylurea?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1,1-diphenylurea is CN(C)CCCNC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1,1-diphenylurea?
The InChIKey is STFSUSJRZYBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20(2)15-9-14-19-18(22)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-(dimethylamino)propyl]-1,1-diphenylurea?
3-[3-(dimethylamino)propyl]-1,1-diphenylurea has a molecular weight of 297.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1,1-diphenylurea is sourced from PubChem (CID 3525114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).