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

C20H27N3O2 — CID 110937015

IUPAC1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-23(2)15-18-11-7-6-10-17(18)13-21-20(25)22-14-19(24)12-16-8-4-3-5-9-16/h3-11,19,24H,12-15H2,1-2H3,(H2,21,22,25)
InChIKeyAYYOMMBOTITTQX-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.15
Rot. Bonds8

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

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 110937015) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID110937015
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-23(2)15-18-11-7-6-10-17(18)13-21-20(25)22-14-19(24)12-16-8-4-3-5-9-16/h3-11,19,24H,12-15H2,1-2H3,(H2,21,22,25)
InChIKeyAYYOMMBOTITTQX-UHFFFAOYSA-N
XLogP2.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976809
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440796
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
1-(2-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111434483
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea (CID 110937015) is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea is CN(C)Cc1ccccc1CNC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is AYYOMMBOTITTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(2)15-18-11-7-6-10-17(18)13-21-20(25)22-14-19(24)12-16-8-4-3-5-9-16/h3-11,19,24H,12-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 110937015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).