(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide

C22H23NO2 — CID 30379357

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-4-21(25-18-13-12-15(2)16(3)14-18)22(24)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m1/s1
InChIKeyCXVDUWRBRPZUNS-OAQYLSRUSA-N
MW333.43 g/mol
LogP5.25
Rot. Bonds5

About (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide

(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide (PubChem CID 30379357) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
PubChem CID30379357
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23NO2/c1-4-21(25-18-13-12-15(2)16(3)14-18)22(24)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m1/s1
InChIKeyCXVDUWRBRPZUNS-OAQYLSRUSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide
CID 100641347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide (CID 30379357) is (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide?
The InChIKey is CXVDUWRBRPZUNS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-21(25-18-13-12-15(2)16(3)14-18)22(24)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide has a molecular weight of 333.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 30379357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).