3-phenylpropylurea;hydrochloride

C10H15ClN2O — CID 174579396

IUPAC3-phenylpropylurea;hydrochloride
SMILESCl.NC(=O)NCCCc1ccccc1
InChIInChI=1S/C10H14N2O.ClH/c11-10(13)12-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H3,11,12,13);1H
InChIKeyXEAAYSGOZPWKOH-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.71
Rot. Bonds4

About 3-phenylpropylurea;hydrochloride

3-phenylpropylurea;hydrochloride (PubChem CID 174579396) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-phenylpropylurea;hydrochloride.

Molecular Properties

Compound Name3-phenylpropylurea;hydrochloride
PubChem CID174579396
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-phenylpropylurea;hydrochloride
SMILESCl.NC(=O)NCCCc1ccccc1
InChIInChI=1S/C10H14N2O.ClH/c11-10(13)12-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H3,11,12,13);1H
InChIKeyXEAAYSGOZPWKOH-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenylpropylurea;hydrochloride 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-phenylpropylurea;2,2,2-trifluoroacetic acid
CID 162337981
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
2-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 175076305
8-phenyloctylcarbamic acid
CID 90271205
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropylurea;hydrochloride?
The IUPAC name of 3-phenylpropylurea;hydrochloride (CID 174579396) is 3-phenylpropylurea;hydrochloride.
What is the SMILES notation for 3-phenylpropylurea;hydrochloride?
The canonical SMILES for 3-phenylpropylurea;hydrochloride is Cl.NC(=O)NCCCc1ccccc1.
What is the InChIKey of 3-phenylpropylurea;hydrochloride?
The InChIKey is XEAAYSGOZPWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c11-10(13)12-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H3,11,12,13);1H.
What are the key properties of 3-phenylpropylurea;hydrochloride?
3-phenylpropylurea;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropylurea;hydrochloride is sourced from PubChem (CID 174579396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).