2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide

C22H28N2O3 — CID 92674701

IUPAC2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C22H28N2O3/c1-6-19(27-20-13-9-10-15(4)16(20)5)22(26)24-18-12-8-7-11-17(18)21(25)23-14(2)3/h7-14,19H,6H2,1-5H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyFYBYEKRSSLSGDC-LJQANCHMSA-N
MW368.48 g/mol
LogP4.24
Rot. Bonds7

About 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 92674701) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID92674701
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C22H28N2O3/c1-6-19(27-20-13-9-10-15(4)16(20)5)22(26)24-18-12-8-7-11-17(18)21(25)23-14(2)3/h7-14,19H,6H2,1-5H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyFYBYEKRSSLSGDC-LJQANCHMSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]-N-propan-2-ylbenzamide
CID 38005316
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide (CID 92674701) is 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is FYBYEKRSSLSGDC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-19(27-20-13-9-10-15(4)16(20)5)22(26)24-18-12-8-7-11-17(18)21(25)23-14(2)3/h7-14,19H,6H2,1-5H3,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 92674701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).