1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea

C15H24N2O3 — CID 110894791

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-12(2)20-10-6-9-16-15(19)17-14(11-18)13-7-4-3-5-8-13/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyZNTDWWLPKHVZEC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds8

About 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea (PubChem CID 110894791) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
PubChem CID110894791
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-12(2)20-10-6-9-16-15(19)17-14(11-18)13-7-4-3-5-8-13/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyZNTDWWLPKHVZEC-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
1-[2-(dimethylamino)-1-phenylethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 86994311
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea (CID 110894791) is 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is ZNTDWWLPKHVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)20-10-6-9-16-15(19)17-14(11-18)13-7-4-3-5-8-13/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 110894791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).