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

C20H27N3O2 — CID 111976809

IUPAC1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCc1ccc(CNC(=O)NCC(O)Cc2ccccc2)c(N(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-15-9-10-17(19(11-15)23(2)3)13-21-20(25)22-14-18(24)12-16-7-5-4-6-8-16/h4-11,18,24H,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyCGLZFDJALBOQDK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.46
Rot. Bonds7

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

1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 111976809) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID111976809
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCc1ccc(CNC(=O)NCC(O)Cc2ccccc2)c(N(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-15-9-10-17(19(11-15)23(2)3)13-21-20(25)22-14-18(24)12-16-7-5-4-6-8-16/h4-11,18,24H,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyCGLZFDJALBOQDK-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-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111976814
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea (CID 111976809) is 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea is Cc1ccc(CNC(=O)NCC(O)Cc2ccccc2)c(N(C)C)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is CGLZFDJALBOQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-9-10-17(19(11-15)23(2)3)13-21-20(25)22-14-18(24)12-16-7-5-4-6-8-16/h4-11,18,24H,12-14H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-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-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111976809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).