N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide

C23H34N2O3 — CID 95172614

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
SMILESCCCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C23H34N2O3/c1-2-13-25(21-8-7-18-5-3-4-6-19(18)16-21)17-22(26)24-20-9-11-23(12-10-20)27-14-15-28-23/h3-6,20-21H,2,7-17H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyMZQJCGXJKAGYMG-NRFANRHFSA-N
MW386.54 g/mol
LogP3.06
Rot. Bonds6

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide (PubChem CID 95172614) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
PubChem CID95172614
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
SMILESCCCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C23H34N2O3/c1-2-13-25(21-8-7-18-5-3-4-6-19(18)16-21)17-22(26)24-20-9-11-23(12-10-20)27-14-15-28-23/h3-6,20-21H,2,7-17H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyMZQJCGXJKAGYMG-NRFANRHFSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 47541039
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 87017401
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166
2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
CID 65064834
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
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
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60509333
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 167807671
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 47540985

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide (CID 95172614) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide is CCCN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCc2ccccc2C1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide?
The InChIKey is MZQJCGXJKAGYMG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-2-13-25(21-8-7-18-5-3-4-6-19(18)16-21)17-22(26)24-20-9-11-23(12-10-20)27-14-15-28-23/h3-6,20-21H,2,7-17H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide has a molecular weight of 386.54 g/mol, XLogP of 3.06, 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-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide is sourced from PubChem (CID 95172614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).