2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide

C22H28N2O4 — CID 92685868

IUPAC2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCOC
InChIInChI=1S/C22H28N2O4/c1-5-20(28-17-11-10-15(2)16(3)14-17)22(26)24-19-9-7-6-8-18(19)21(25)23-12-13-27-4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyZTDYTTCSXCNKOS-HXUWFJFHSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds9

About 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide

2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 92685868) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID92685868
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCOC
InChIInChI=1S/C22H28N2O4/c1-5-20(28-17-11-10-15(2)16(3)14-17)22(26)24-19-9-7-6-8-18(19)21(25)23-12-13-27-4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyZTDYTTCSXCNKOS-HXUWFJFHSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 94019315
N-(2-methoxyethyl)-2-[[(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100748404
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide (CID 92685868) is 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCOC.
What is the InChIKey of 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is ZTDYTTCSXCNKOS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-20(28-17-11-10-15(2)16(3)14-17)22(26)24-19-9-7-6-8-18(19)21(25)23-12-13-27-4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m1/s1.
What are the key properties of 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 92685868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).