3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

C18H25NO3 — CID 122276174

IUPAC3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C18H25NO3/c1-21-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-22-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20)
InChIKeyDQHGPZHZIANPHT-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.70
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (PubChem CID 122276174) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
PubChem CID122276174
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C18H25NO3/c1-21-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-22-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20)
InChIKeyDQHGPZHZIANPHT-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276240
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122276198
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265192
4-[3-[(5,5-difluorooxepan-4-yl)amino]-3-oxopropyl]benzoic acid
CID 167903896
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (CID 122276174) is 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is COc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The InChIKey is DQHGPZHZIANPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-22-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is sourced from PubChem (CID 122276174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).