1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea

C20H27N3O2 — CID 111334531

IUPAC1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCN(C)Cc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O2/c1-20(25,18-7-5-4-6-8-18)15-22-19(24)21-13-16-9-11-17(12-10-16)14-23(2)3/h4-12,25H,13-15H2,1-3H3,(H2,21,22,24)
InChIKeyMWLLERJAJKZBGM-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.46
Rot. Bonds7

About 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111334531) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111334531
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCN(C)Cc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H27N3O2/c1-20(25,18-7-5-4-6-8-18)15-22-19(24)21-13-16-9-11-17(12-10-16)14-23(2)3/h4-12,25H,13-15H2,1-3H3,(H2,21,22,24)
InChIKeyMWLLERJAJKZBGM-UHFFFAOYSA-N
XLogP2.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-phenylsulfanylethyl)urea
CID 86925125
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457906
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120995

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111334531) is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea is CN(C)Cc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is MWLLERJAJKZBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(25,18-7-5-4-6-8-18)15-22-19(24)21-13-16-9-11-17(12-10-16)14-23(2)3/h4-12,25H,13-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111334531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).