1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea

C17H20N2O2 — CID 131994372

IUPAC1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-6-8-15(9-7-14)18-17(21)19-16-5-3-4-13(10-16)11-20/h3-10,12,20H,11H2,1-2H3,(H2,18,19,21)
InChIKeyCTMRTUJYTCJZIF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.95
Rot. Bonds4

About 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea

1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 131994372) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID131994372
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-6-8-15(9-7-14)18-17(21)19-16-5-3-4-13(10-16)11-20/h3-10,12,20H,11H2,1-2H3,(H2,18,19,21)
InChIKeyCTMRTUJYTCJZIF-UHFFFAOYSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
CID 66721682
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea (CID 131994372) is 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is CTMRTUJYTCJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)14-6-8-15(9-7-14)18-17(21)19-16-5-3-4-13(10-16)11-20/h3-10,12,20H,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea?
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 131994372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).