1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea

C18H30N2O4 — CID 95198688

IUPAC1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea
SMILESCCN(C(=O)Nc1ccc(OC)c(OCCOC)c1)[C@@H](C)C(C)C
InChIInChI=1S/C18H30N2O4/c1-7-20(14(4)13(2)3)18(21)19-15-8-9-16(23-6)17(12-15)24-11-10-22-5/h8-9,12-14H,7,10-11H2,1-6H3,(H,19,21)/t14-/m0/s1
InChIKeyGQFIIEIEKWJFTK-AWEZNQCLSA-N
MW338.45 g/mol
LogP3.62
Rot. Bonds9

About 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea

1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea (PubChem CID 95198688) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea
PubChem CID95198688
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea
SMILESCCN(C(=O)Nc1ccc(OC)c(OCCOC)c1)[C@@H](C)C(C)C
InChIInChI=1S/C18H30N2O4/c1-7-20(14(4)13(2)3)18(21)19-15-8-9-16(23-6)17(12-15)24-11-10-22-5/h8-9,12-14H,7,10-11H2,1-6H3,(H,19,21)/t14-/m0/s1
InChIKeyGQFIIEIEKWJFTK-AWEZNQCLSA-N
XLogP3.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411
1-(2-hydroxyethyl)-3-[4-methoxy-3-(4-methylpentoxy)phenyl]-1-[(1S)-1-phenylethyl]urea
CID 71450410
2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624151
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
2-(4-butylphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624153
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea (CID 95198688) is 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea is CCN(C(=O)Nc1ccc(OC)c(OCCOC)c1)[C@@H](C)C(C)C.
What is the InChIKey of 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea?
The InChIKey is GQFIIEIEKWJFTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-7-20(14(4)13(2)3)18(21)19-15-8-9-16(23-6)17(12-15)24-11-10-22-5/h8-9,12-14H,7,10-11H2,1-6H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea?
1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea has a molecular weight of 338.45 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 95198688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).