2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea

C14H23N3O3 — CID 83121787

IUPAC2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
SMILESCC(OCC(O)CNCCNC(N)=O)c1ccccc1
InChIInChI=1S/C14H23N3O3/c1-11(12-5-3-2-4-6-12)20-10-13(18)9-16-7-8-17-14(15)19/h2-6,11,13,16,18H,7-10H2,1H3,(H3,15,17,19)
InChIKeyHGKRFJCZZIJQFJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.38
Rot. Bonds9

About 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea (PubChem CID 83121787) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
PubChem CID83121787
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
SMILESCC(OCC(O)CNCCNC(N)=O)c1ccccc1
InChIInChI=1S/C14H23N3O3/c1-11(12-5-3-2-4-6-12)20-10-13(18)9-16-7-8-17-14(15)19/h2-6,11,13,16,18H,7-10H2,1H3,(H3,15,17,19)
InChIKeyHGKRFJCZZIJQFJ-UHFFFAOYSA-N
XLogP0.38
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea 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

methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
CID 94800112
1-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51084625
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea?
The IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea (CID 83121787) is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea?
The canonical SMILES for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea is CC(OCC(O)CNCCNC(N)=O)c1ccccc1.
What is the InChIKey of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea?
The InChIKey is HGKRFJCZZIJQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(12-5-3-2-4-6-12)20-10-13(18)9-16-7-8-17-14(15)19/h2-6,11,13,16,18H,7-10H2,1H3,(H3,15,17,19).
What are the key properties of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea?
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea has a molecular weight of 281.36 g/mol, XLogP of 0.38, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea is sourced from PubChem (CID 83121787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).