1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea

C12H19N3O2 — CID 104593873

IUPAC1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
SMILESCC(O)CNCCNC(=O)Nc1ccccc1
InChIInChI=1S/C12H19N3O2/c1-10(16)9-13-7-8-14-12(17)15-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H2,14,15,17)
InChIKeyLJCGFQOTYVMVJA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.78
Rot. Bonds6

About 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea

1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea (PubChem CID 104593873) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
PubChem CID104593873
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
SMILESCC(O)CNCCNC(=O)Nc1ccccc1
InChIInChI=1S/C12H19N3O2/c1-10(16)9-13-7-8-14-12(17)15-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H2,14,15,17)
InChIKeyLJCGFQOTYVMVJA-UHFFFAOYSA-N
XLogP0.78
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
CID 173411777
1-(2-chloropropyl)-3-phenylurea
CID 70181020
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
1-dodecyl-3-phenylurea
CID 3697946
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea (CID 104593873) is 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea is CC(O)CNCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea?
The InChIKey is LJCGFQOTYVMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(16)9-13-7-8-14-12(17)15-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea?
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea has a molecular weight of 237.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea is sourced from PubChem (CID 104593873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).