1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea

C18H23N3O2 — CID 48798165

IUPAC1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
SMILESCN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyCZIVNIUZFPIKFU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.82
Rot. Bonds6

About 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea

1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea (PubChem CID 48798165) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
PubChem CID48798165
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
SMILESCN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyCZIVNIUZFPIKFU-UHFFFAOYSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
1-[3-[(dimethylamino)methyl]phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111115089
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
1-(2,2-diethyl-4-hydroxybutyl)-3-[3-[(dimethylamino)methyl]phenyl]urea
CID 111499054
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108895647
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea (CID 48798165) is 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea is CN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?
The InChIKey is CZIVNIUZFPIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?
1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 48798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).