2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide

C21H21NO2 — CID 4928355

IUPAC2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-20(24-17-11-6-8-15(2)14-17)21(23)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14,20H,3H2,1-2H3,(H,22,23)
InChIKeyGYUPLBOAWOWXFS-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.94
Rot. Bonds5

About 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide

2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide (PubChem CID 4928355) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
PubChem CID4928355
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21NO2/c1-3-20(24-17-11-6-8-15(2)14-17)21(23)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14,20H,3H2,1-2H3,(H,22,23)
InChIKeyGYUPLBOAWOWXFS-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
CID 97319745
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide (CID 4928355) is 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide?
The InChIKey is GYUPLBOAWOWXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-20(24-17-11-6-8-15(2)14-17)21(23)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14,20H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide?
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide has a molecular weight of 319.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 4928355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).