1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea

C16H19N3O2 — CID 127047217

IUPAC1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea
SMILESNc1ccccc1C(O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O2/c17-14-9-5-4-8-13(14)15(20)10-11-18-16(21)19-12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19,21)
InChIKeyVJGAVHWRHPCMKJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea

1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea (PubChem CID 127047217) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea
PubChem CID127047217
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea
SMILESNc1ccccc1C(O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O2/c17-14-9-5-4-8-13(14)15(20)10-11-18-16(21)19-12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19,21)
InChIKeyVJGAVHWRHPCMKJ-UHFFFAOYSA-N
XLogP2.51
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea?
The IUPAC name of 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea (CID 127047217) is 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea is Nc1ccccc1C(O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea?
The InChIKey is VJGAVHWRHPCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-14-9-5-4-8-13(14)15(20)10-11-18-16(21)19-12-6-2-1-3-7-12/h1-9,15,20H,10-11,17H2,(H2,18,19,21).
What are the key properties of 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea?
1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea has a molecular weight of 285.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenyl)-3-hydroxypropyl]-3-phenylurea is sourced from PubChem (CID 127047217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).