N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

C18H26N2O4 — CID 91839507

IUPACN-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC3(CCO3)CC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-3-4-15(16(13-14)23-2)19-17(21)5-9-20-10-6-18(7-11-20)8-12-24-18/h3-4,13H,5-12H2,1-2H3,(H,19,21)
InChIKeyPNJWOEWMHIJWKT-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.29
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (PubChem CID 91839507) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
PubChem CID91839507
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC3(CCO3)CC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-3-4-15(16(13-14)23-2)19-17(21)5-9-20-10-6-18(7-11-20)8-12-24-18/h3-4,13H,5-12H2,1-2H3,(H,19,21)
InChIKeyPNJWOEWMHIJWKT-UHFFFAOYSA-N
XLogP2.29
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
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N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
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3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
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N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
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3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
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N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (CID 91839507) is N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is COc1ccc(NC(=O)CCN2CCC3(CCO3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The InChIKey is PNJWOEWMHIJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-14-3-4-15(16(13-14)23-2)19-17(21)5-9-20-10-6-18(7-11-20)8-12-24-18/h3-4,13H,5-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is sourced from PubChem (CID 91839507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).