N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C22H25NO4 — CID 133184927

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25NO4/c1-2-19(27-18-9-8-16-5-3-4-6-17(16)12-18)22(24)23-13-15-7-10-20-21(11-15)26-14-25-20/h7-12,19H,2-6,13-14H2,1H3,(H,23,24)
InChIKeyGRDMIZXBPINVBB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.77
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133184927) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133184927
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25NO4/c1-2-19(27-18-9-8-16-5-3-4-6-17(16)12-18)22(24)23-13-15-7-10-20-21(11-15)26-14-25-20/h7-12,19H,2-6,13-14H2,1H3,(H,23,24)
InChIKeyGRDMIZXBPINVBB-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 45148354
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133184927) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is GRDMIZXBPINVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-19(27-18-9-8-16-5-3-4-6-17(16)12-18)22(24)23-13-15-7-10-20-21(11-15)26-14-25-20/h7-12,19H,2-6,13-14H2,1H3,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 367.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133184927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).