N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide

C18H25NO4 — CID 18583806

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H25NO4/c1-2-21-15-8-6-14(7-9-15)17(20)19-12-16-13-22-18(23-16)10-4-3-5-11-18/h6-9,16H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyZNEIMLNYTGXRBJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.89
Rot. Bonds5

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide (PubChem CID 18583806) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
PubChem CID18583806
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H25NO4/c1-2-21-15-8-6-14(7-9-15)17(20)19-12-16-13-22-18(23-16)10-4-3-5-11-18/h6-9,16H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyZNEIMLNYTGXRBJ-UHFFFAOYSA-N
XLogP2.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934
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
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
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
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide (CID 18583806) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2COC3(CCCCC3)O2)cc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide?
The InChIKey is ZNEIMLNYTGXRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-21-15-8-6-14(7-9-15)17(20)19-12-16-13-22-18(23-16)10-4-3-5-11-18/h6-9,16H,2-5,10-13H2,1H3,(H,19,20).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide has a molecular weight of 319.40 g/mol, XLogP of 2.89, 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[4.5]decan-3-ylmethyl)-4-ethoxybenzamide is sourced from PubChem (CID 18583806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).