N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C22H27NO3 — CID 133185599

IUPACN-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C22H27NO3/c1-3-21(22(24)23-19-10-6-7-16(13-19)15-25-2)26-20-12-11-17-8-4-5-9-18(17)14-20/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H,23,24)
InChIKeyBZJAAJZOMDPIRS-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.51
Rot. Bonds7

About N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133185599) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133185599
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C22H27NO3/c1-3-21(22(24)23-19-10-6-7-16(13-19)15-25-2)26-20-12-11-17-8-4-5-9-18(17)14-20/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H,23,24)
InChIKeyBZJAAJZOMDPIRS-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
CID 133239980
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161652
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133185599) is N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(COC)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is BZJAAJZOMDPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-21(22(24)23-19-10-6-7-16(13-19)15-25-2)26-20-12-11-17-8-4-5-9-18(17)14-20/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 353.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133185599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).