1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea

C15H24N2O2 — CID 59924188

IUPAC1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCCCCCCNC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-8-11-16-15(19)17-14(12-18)13-9-6-5-7-10-13/h5-7,9-10,14,18H,2-4,8,11-12H2,1H3,(H2,16,17,19)/t14-/m0/s1
InChIKeyGSMPVHQMIFABHI-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.60
Rot. Bonds8

About 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea

1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea (PubChem CID 59924188) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
PubChem CID59924188
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCCCCCCNC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-8-11-16-15(19)17-14(12-18)13-9-6-5-7-10-13/h5-7,9-10,14,18H,2-4,8,11-12H2,1H3,(H2,16,17,19)/t14-/m0/s1
InChIKeyGSMPVHQMIFABHI-AWEZNQCLSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-benzhydryl-3-octadecylurea
CID 142646590
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
[2-(hexylcarbamoylamino)-2-phenylethyl] dihydrogen phosphate
CID 18339910
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
1-butyl-3-[(1R)-1-phenylbut-3-ynyl]urea
CID 97098548
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea (CID 59924188) is 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea is CCCCCCNC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is GSMPVHQMIFABHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-8-11-16-15(19)17-14(12-18)13-9-6-5-7-10-13/h5-7,9-10,14,18H,2-4,8,11-12H2,1H3,(H2,16,17,19)/t14-/m0/s1.
What are the key properties of 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 59924188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).