N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

C18H25N3O3 — CID 91831123

IUPACN-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCC3(CCO3)CC2)c1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-15-3-2-4-16(13-15)20-17(23)5-9-21-10-6-18(7-11-21)8-12-24-18/h2-4,13H,5-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVUHGPMBFQOLXBV-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.23
Rot. Bonds5

About N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (PubChem CID 91831123) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
PubChem CID91831123
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCC3(CCO3)CC2)c1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-15-3-2-4-16(13-15)20-17(23)5-9-21-10-6-18(7-11-21)8-12-24-18/h2-4,13H,5-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVUHGPMBFQOLXBV-UHFFFAOYSA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
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N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
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3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (CID 91831123) is N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCN2CCC3(CCO3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The InChIKey is VUHGPMBFQOLXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)19-15-3-2-4-16(13-15)20-17(23)5-9-21-10-6-18(7-11-21)8-12-24-18/h2-4,13H,5-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is sourced from PubChem (CID 91831123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).