1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

C17H21N3O2 — CID 94054970

IUPAC1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCOc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21N3O2/c1-12(14-8-4-5-10-16(14)22-3)19-17(21)20-13(2)15-9-6-7-11-18-15/h4-13H,1-3H3,(H2,19,20,21)/t12-,13-/m0/s1
InChIKeyWMOQMIXGVRLTMY-STQMWFEESA-N
MW299.37 g/mol
LogP3.21
Rot. Bonds5

About 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea

1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 94054970) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID94054970
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCOc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21N3O2/c1-12(14-8-4-5-10-16(14)22-3)19-17(21)20-13(2)15-9-6-7-11-18-15/h4-13H,1-3H3,(H2,19,20,21)/t12-,13-/m0/s1
InChIKeyWMOQMIXGVRLTMY-STQMWFEESA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 94054970) is 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is COc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is WMOQMIXGVRLTMY-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(14-8-4-5-10-16(14)22-3)19-17(21)20-13(2)15-9-6-7-11-18-15/h4-13H,1-3H3,(H2,19,20,21)/t12-,13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 299.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 94054970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).