N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide

C24H27NO4 — CID 43908219

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27NO4/c1-4-20(29-21-11-7-9-18-8-5-6-10-19(18)21)24(26)25-15-14-17-12-13-22(27-2)23(16-17)28-3/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyXQSFNHXAPZHTEW-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.37
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 43908219) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
PubChem CID43908219
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27NO4/c1-4-20(29-21-11-7-9-18-8-5-6-10-19(18)21)24(26)25-15-14-17-12-13-22(27-2)23(16-17)28-3/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyXQSFNHXAPZHTEW-UHFFFAOYSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94019866
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-yloxybutanamide
CID 132763303

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide (CID 43908219) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is XQSFNHXAPZHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-4-20(29-21-11-7-9-18-8-5-6-10-19(18)21)24(26)25-15-14-17-12-13-22(27-2)23(16-17)28-3/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 393.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 43908219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).