1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea

C17H21N3O — CID 17182556

IUPAC1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(C)c1ccc(NC(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)14-7-9-15(10-8-14)20-17(21)19-13(3)16-6-4-5-11-18-16/h4-13H,1-3H3,(H2,19,20,21)
InChIKeyFQFGBXAFQKMFLS-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea

1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 17182556) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID17182556
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(C)c1ccc(NC(=O)NC(C)c2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)14-7-9-15(10-8-14)20-17(21)19-13(3)16-6-4-5-11-18-16/h4-13H,1-3H3,(H2,19,20,21)
InChIKeyFQFGBXAFQKMFLS-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide
CID 51118854
1-(3-chloro-4-cyanophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94775392
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea (CID 17182556) is 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea is CC(C)c1ccc(NC(=O)NC(C)c2ccccn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is FQFGBXAFQKMFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)14-7-9-15(10-8-14)20-17(21)19-13(3)16-6-4-5-11-18-16/h4-13H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea?
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 283.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 17182556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).