N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide

C17H23NO4 — CID 18583934

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C17H23NO4/c1-2-20-14-7-5-13(6-8-14)16(19)18-11-15-12-21-17(22-15)9-3-4-10-17/h5-8,15H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyKHUIBHQGBFXISS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds5

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide (PubChem CID 18583934) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
PubChem CID18583934
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C17H23NO4/c1-2-20-14-7-5-13(6-8-14)16(19)18-11-15-12-21-17(22-15)9-3-4-10-17/h5-8,15H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyKHUIBHQGBFXISS-UHFFFAOYSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
4-butoxy-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412206
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4,5-triethoxybenzamide
CID 41412174
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
CID 18583918
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide
CID 97338344
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 97256536

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide (CID 18583934) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2COC3(CCCC3)O2)cc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide?
The InChIKey is KHUIBHQGBFXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-20-14-7-5-13(6-8-14)16(19)18-11-15-12-21-17(22-15)9-3-4-10-17/h5-8,15H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide has a molecular weight of 305.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide is sourced from PubChem (CID 18583934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).