1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

C20H28N4O — CID 87008900

IUPAC1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(CCN(C)C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-15-11-16(2)19(17(3)12-15)22-20(25)24(10-9-23(4)5)14-18-7-6-8-21-13-18/h6-8,11-13H,9-10,14H2,1-5H3,(H,22,25)
InChIKeyODPFVGMPTWMQAS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.60
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 87008900) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID87008900
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(CCN(C)C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-15-11-16(2)19(17(3)12-15)22-20(25)24(10-9-23(4)5)14-18-7-6-8-21-13-18/h6-8,11-13H,9-10,14H2,1-5H3,(H,22,25)
InChIKeyODPFVGMPTWMQAS-UHFFFAOYSA-N
XLogP3.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)carbamoyl]amino]-N-ethyl-3-methylbenzamide
CID 87010560
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010345
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea (CID 87008900) is 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N(CCN(C)C)Cc2cccnc2)c(C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is ODPFVGMPTWMQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-11-16(2)19(17(3)12-15)22-20(25)24(10-9-23(4)5)14-18-7-6-8-21-13-18/h6-8,11-13H,9-10,14H2,1-5H3,(H,22,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 87008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).