N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide

C21H25NO4 — CID 18583918

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C21H25NO4/c1-2-24-18-10-9-15-7-3-4-8-17(15)19(18)20(23)22-13-16-14-25-21(26-16)11-5-6-12-21/h3-4,7-10,16H,2,5-6,11-14H2,1H3,(H,22,23)
InChIKeySSQAWHAFKUXIBO-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.65
Rot. Bonds5

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide (PubChem CID 18583918) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
PubChem CID18583918
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C21H25NO4/c1-2-24-18-10-9-15-7-3-4-8-17(15)19(18)20(23)22-13-16-14-25-21(26-16)11-5-6-12-21/h3-4,7-10,16H,2,5-6,11-14H2,1H3,(H,22,23)
InChIKeySSQAWHAFKUXIBO-UHFFFAOYSA-N
XLogP3.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dimethoxybenzamide
CID 7423485
4-butoxy-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412206
2-ethoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]naphthalene-1-carboxamide
CID 139028044
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883
(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 97333037

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide (CID 18583918) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC1COC2(CCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is SSQAWHAFKUXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-24-18-10-9-15-7-3-4-8-17(15)19(18)20(23)22-13-16-14-25-21(26-16)11-5-6-12-21/h3-4,7-10,16H,2,5-6,11-14H2,1H3,(H,22,23).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.65, 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)-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 18583918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).