N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide

C20H30N2O3 — CID 60509333

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1C
InChIInChI=1S/C20H30N2O3/c1-3-22(14-17-7-5-4-6-16(17)2)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h4-7,18H,3,8-15H2,1-2H3,(H,21,23)
InChIKeyFHGRFAMMWJGBSR-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.62
Rot. Bonds6

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 60509333) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID60509333
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1C
InChIInChI=1S/C20H30N2O3/c1-3-22(14-17-7-5-4-6-16(17)2)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h4-7,18H,3,8-15H2,1-2H3,(H,21,23)
InChIKeyFHGRFAMMWJGBSR-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500114
2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 87017401
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 95172614
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 47541039
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 112822895

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide (CID 60509333) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide is CCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1C.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is FHGRFAMMWJGBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-22(14-17-7-5-4-6-16(17)2)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h4-7,18H,3,8-15H2,1-2H3,(H,21,23).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.62, 6 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-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 60509333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).