N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

C22H23NO3 — CID 43915994

IUPACN-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H23NO3/c1-3-20(22(24)23-15-16-11-13-18(25-2)14-12-16)26-21-10-6-8-17-7-4-5-9-19(17)21/h4-14,20H,3,15H2,1-2H3,(H,23,24)
InChIKeyXTLZJCUSJQPDTQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 43915994) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
PubChem CID43915994
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H23NO3/c1-3-20(22(24)23-15-16-11-13-18(25-2)14-12-16)26-21-10-6-8-17-7-4-5-9-19(17)21/h4-14,20H,3,15H2,1-2H3,(H,23,24)
InChIKeyXTLZJCUSJQPDTQ-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
CID 94016431
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94019866
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (CID 43915994) is N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is XTLZJCUSJQPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-20(22(24)23-15-16-11-13-18(25-2)14-12-16)26-21-10-6-8-17-7-4-5-9-19(17)21/h4-14,20H,3,15H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 349.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 43915994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).