1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea

C16H26N2O2 — CID 111102261

IUPAC1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCCC(CC)CNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-13(4-2)11-17-16(20)18-12-15(19)10-14-8-6-5-7-9-14/h5-9,13,15,19H,3-4,10-12H2,1-2H3,(H2,17,18,20)
InChIKeyRDPTUSSZMPJFTD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.33
Rot. Bonds8

About 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea

1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 111102261) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID111102261
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCCC(CC)CNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-13(4-2)11-17-16(20)18-12-15(19)10-14-8-6-5-7-9-14/h5-9,13,15,19H,3-4,10-12H2,1-2H3,(H2,17,18,20)
InChIKeyRDPTUSSZMPJFTD-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-(2-tert-butylsulfanylethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937097
1-(2-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111434483
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
CID 111477366
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
1-(4-amino-2-ethylbutyl)-3-benzylurea
CID 107654554

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea (CID 111102261) is 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea is CCC(CC)CNC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is RDPTUSSZMPJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-13(4-2)11-17-16(20)18-12-15(19)10-14-8-6-5-7-9-14/h5-9,13,15,19H,3-4,10-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea?
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111102261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).