1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea

C17H21N3O — CID 108989280

IUPAC1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
SMILESCCN(C(=O)N(C)CCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-20(16-7-5-4-6-8-16)17(21)19(2)14-11-15-9-12-18-13-10-15/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyGWXWQPFLNSCSOJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds5

About 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea

1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea (PubChem CID 108989280) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
PubChem CID108989280
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
SMILESCCN(C(=O)N(C)CCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-20(16-7-5-4-6-8-16)17(21)19(2)14-11-15-9-12-18-13-10-15/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyGWXWQPFLNSCSOJ-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 109331197
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea (CID 108989280) is 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea is CCN(C(=O)N(C)CCc1ccncc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is GWXWQPFLNSCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(16-7-5-4-6-8-16)17(21)19(2)14-11-15-9-12-18-13-10-15/h4-10,12-13H,3,11,14H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea?
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).