N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide

C19H27NO4 — CID 97237967

IUPACN-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)N[C@H]1CCCCC12OCCO2
InChIInChI=1S/C19H27NO4/c1-14(2)24-16-8-4-3-7-15(16)13-18(21)20-17-9-5-6-10-19(17)22-11-12-23-19/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyWWNBKEPMXRLAPY-KRWDZBQOSA-N
MW333.43 g/mol
LogP2.82
Rot. Bonds5

About N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide

N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 97237967) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide
PubChem CID97237967
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)N[C@H]1CCCCC12OCCO2
InChIInChI=1S/C19H27NO4/c1-14(2)24-16-8-4-3-7-15(16)13-18(21)20-17-9-5-6-10-19(17)22-11-12-23-19/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyWWNBKEPMXRLAPY-KRWDZBQOSA-N
XLogP2.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 111331235
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855624
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 119573037
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
2-[2-(difluoromethoxy)phenyl]-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)acetamide
CID 126799465
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)-2-(2-propan-2-yloxyphenyl)ethanone
CID 56791671

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide (CID 97237967) is N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1CC(=O)N[C@H]1CCCCC12OCCO2.
What is the InChIKey of N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is WWNBKEPMXRLAPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(2)24-16-8-4-3-7-15(16)13-18(21)20-17-9-5-6-10-19(17)22-11-12-23-19/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide?
N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 97237967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).