1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea

C17H20ClN3O2 — CID 99840706

IUPAC1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
SMILESCOC[C@@H](NC(=O)NCCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-23-12-16(14-4-6-15(18)7-5-14)21-17(22)20-10-8-13-3-2-9-19-11-13/h2-7,9,11,16H,8,10,12H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyRSCMZUOLGNNZPN-MRXNPFEDSA-N
MW333.82 g/mol
LogP2.96
Rot. Bonds7

About 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea

1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 99840706) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID99840706
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
SMILESCOC[C@@H](NC(=O)NCCc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-23-12-16(14-4-6-15(18)7-5-14)21-17(22)20-10-8-13-3-2-9-19-11-13/h2-7,9,11,16H,8,10,12H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyRSCMZUOLGNNZPN-MRXNPFEDSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-chlorophenyl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 30259728
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
3-methoxy-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 103158690
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
CID 3497619
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea (CID 99840706) is 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea is COC[C@@H](NC(=O)NCCc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is RSCMZUOLGNNZPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-12-16(14-4-6-15(18)7-5-14)21-17(22)20-10-8-13-3-2-9-19-11-13/h2-7,9,11,16H,8,10,12H2,1H3,(H2,20,21,22)/t16-/m1/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea?
1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 333.82 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 99840706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).