3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea

C18H23N3O3 — CID 60543128

IUPAC3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
SMILESCCc1cccc(Oc2ccc(NC(=O)N(C)CCOC)cn2)c1
InChIInChI=1S/C18H23N3O3/c1-4-14-6-5-7-16(12-14)24-17-9-8-15(13-19-17)20-18(22)21(2)10-11-23-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyIUZGSOLBKHPRFH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.55
Rot. Bonds7

About 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea

3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea (PubChem CID 60543128) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
PubChem CID60543128
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
SMILESCCc1cccc(Oc2ccc(NC(=O)N(C)CCOC)cn2)c1
InChIInChI=1S/C18H23N3O3/c1-4-14-6-5-7-16(12-14)24-17-9-8-15(13-19-17)20-18(22)21(2)10-11-23-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,22)
InChIKeyIUZGSOLBKHPRFH-UHFFFAOYSA-N
XLogP3.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
CID 94008813
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea (CID 60543128) is 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea is CCc1cccc(Oc2ccc(NC(=O)N(C)CCOC)cn2)c1.
What is the InChIKey of 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea?
The InChIKey is IUZGSOLBKHPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-14-6-5-7-16(12-14)24-17-9-8-15(13-19-17)20-18(22)21(2)10-11-23-3/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea?
3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea has a molecular weight of 329.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 60543128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).