3,3-diphenylpropylurea;formic acid

C17H20N2O3 — CID 157477952

IUPAC3,3-diphenylpropylurea;formic acid
SMILESNC(=O)NCCC(c1ccccc1)c1ccccc1.O=CO
InChIInChI=1S/C16H18N2O.CH2O2/c17-16(19)18-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1-3/h1-10,15H,11-12H2,(H3,17,18,19);1H,(H,2,3)
InChIKeyBVUXOHUSNGDKIL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds5

About 3,3-diphenylpropylurea;formic acid

3,3-diphenylpropylurea;formic acid (PubChem CID 157477952) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3,3-diphenylpropylurea;formic acid.

Molecular Properties

Compound Name3,3-diphenylpropylurea;formic acid
PubChem CID157477952
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3,3-diphenylpropylurea;formic acid
SMILESNC(=O)NCCC(c1ccccc1)c1ccccc1.O=CO
InChIInChI=1S/C16H18N2O.CH2O2/c17-16(19)18-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1-3/h1-10,15H,11-12H2,(H3,17,18,19);1H,(H,2,3)
InChIKeyBVUXOHUSNGDKIL-UHFFFAOYSA-N
XLogP2.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-diphenylpropylurea;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3,3-diphenylpropyl)-3-methylbut-2-enamide
CID 30707802
N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
CID 4162787
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
CID 10267968
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide
CID 102039118
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropylurea;formic acid?
The IUPAC name of 3,3-diphenylpropylurea;formic acid (CID 157477952) is 3,3-diphenylpropylurea;formic acid.
What is the SMILES notation for 3,3-diphenylpropylurea;formic acid?
The canonical SMILES for 3,3-diphenylpropylurea;formic acid is NC(=O)NCCC(c1ccccc1)c1ccccc1.O=CO.
What is the InChIKey of 3,3-diphenylpropylurea;formic acid?
The InChIKey is BVUXOHUSNGDKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.CH2O2/c17-16(19)18-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1-3/h1-10,15H,11-12H2,(H3,17,18,19);1H,(H,2,3).
What are the key properties of 3,3-diphenylpropylurea;formic acid?
3,3-diphenylpropylurea;formic acid has a molecular weight of 300.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropylurea;formic acid is sourced from PubChem (CID 157477952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).