1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea

C19H28N2O4 — CID 97434869

IUPAC1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
SMILESCCOCCOc1ccccc1NC(=O)N[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C19H28N2O4/c1-2-23-11-12-24-17-8-4-3-7-16(17)21-18(22)20-15-13-19(25-14-15)9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H2,20,21,22)/t15-/m0/s1
InChIKeyNPNFQMYWWMKTJA-HNNXBMFYSA-N
MW348.44 g/mol
LogP3.33
Rot. Bonds7

About 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea

1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea (PubChem CID 97434869) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
PubChem CID97434869
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
SMILESCCOCCOc1ccccc1NC(=O)N[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C19H28N2O4/c1-2-23-11-12-24-17-8-4-3-7-16(17)21-18(22)20-15-13-19(25-14-15)9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H2,20,21,22)/t15-/m0/s1
InChIKeyNPNFQMYWWMKTJA-HNNXBMFYSA-N
XLogP3.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide
CID 74249427
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-propoxyphenyl)urea
CID 14763328
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
2-[cyclohexyl(methyl)amino]-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54817307
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea
CID 72905707
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea?
The IUPAC name of 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea (CID 97434869) is 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea is CCOCCOc1ccccc1NC(=O)N[C@@H]1COC2(CCCC2)C1.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea?
The InChIKey is NPNFQMYWWMKTJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-23-11-12-24-17-8-4-3-7-16(17)21-18(22)20-15-13-19(25-14-15)9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea?
1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea has a molecular weight of 348.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea is sourced from PubChem (CID 97434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).