1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea

C17H26N2O2 — CID 111969619

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCCC1(CNC(=O)NCCC(O)c2ccccc2)CCC1
InChIInChI=1S/C17H26N2O2/c1-2-17(10-6-11-17)13-19-16(21)18-12-9-15(20)14-7-4-3-5-8-14/h3-5,7-8,15,20H,2,6,9-13H2,1H3,(H2,18,19,21)
InChIKeyUIRDMHGCSHCOED-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.99
Rot. Bonds7

About 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea

1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea (PubChem CID 111969619) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
PubChem CID111969619
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCCC1(CNC(=O)NCCC(O)c2ccccc2)CCC1
InChIInChI=1S/C17H26N2O2/c1-2-17(10-6-11-17)13-19-16(21)18-12-9-15(20)14-7-4-3-5-8-14/h3-5,7-8,15,20H,2,6,9-13H2,1H3,(H2,18,19,21)
InChIKeyUIRDMHGCSHCOED-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
CID 111481680
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
5-[(1-ethylcyclobutyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 114108830
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111841104

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea (CID 111969619) is 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea is CCC1(CNC(=O)NCCC(O)c2ccccc2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The InChIKey is UIRDMHGCSHCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-17(10-6-11-17)13-19-16(21)18-12-9-15(20)14-7-4-3-5-8-14/h3-5,7-8,15,20H,2,6,9-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea?
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111969619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).