N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C25H33NO4 — CID 133201702

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H33NO4/c1-4-22(30-21-13-12-19-9-5-6-10-20(19)17-21)25(27)26-15-7-8-18-11-14-23(28-2)24(16-18)29-3/h11-14,16-17,22H,4-10,15H2,1-3H3,(H,26,27)
InChIKeyHMRBAXUMLFPJLC-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.49
Rot. Bonds10

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133201702) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133201702
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H33NO4/c1-4-22(30-21-13-12-19-9-5-6-10-20(19)17-21)25(27)26-15-7-8-18-11-14-23(28-2)24(16-18)29-3/h11-14,16-17,22H,4-10,15H2,1-3H3,(H,26,27)
InChIKeyHMRBAXUMLFPJLC-UHFFFAOYSA-N
XLogP4.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
(2S)-N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100530658
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161622
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133201702) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is HMRBAXUMLFPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-4-22(30-21-13-12-19-9-5-6-10-20(19)17-21)25(27)26-15-7-8-18-11-14-23(28-2)24(16-18)29-3/h11-14,16-17,22H,4-10,15H2,1-3H3,(H,26,27).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 411.54 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133201702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).