2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide

C27H30N2O3 — CID 94012214

IUPAC2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-5-24(32-25-17-18(2)15-16-19(25)3)27(31)29-23-14-10-9-13-22(23)26(30)28-20(4)21-11-7-6-8-12-21/h6-17,20,24H,5H2,1-4H3,(H,28,30)(H,29,31)/t20-,24-/m1/s1
InChIKeySRFWWNQJZSBBTG-HYBUGGRVSA-N
MW430.55 g/mol
LogP5.59
Rot. Bonds8

About 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide

2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 94012214) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID94012214
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-5-24(32-25-17-18(2)15-16-19(25)3)27(31)29-23-14-10-9-13-22(23)26(30)28-20(4)21-11-7-6-8-12-21/h6-17,20,24H,5H2,1-4H3,(H,28,30)(H,29,31)/t20-,24-/m1/s1
InChIKeySRFWWNQJZSBBTG-HYBUGGRVSA-N
XLogP5.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
2-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 28570801
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
ethyl 3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 92674298
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 94012214) is 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is SRFWWNQJZSBBTG-HYBUGGRVSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-5-24(32-25-17-18(2)15-16-19(25)3)27(31)29-23-14-10-9-13-22(23)26(30)28-20(4)21-11-7-6-8-12-21/h6-17,20,24H,5H2,1-4H3,(H,28,30)(H,29,31)/t20-,24-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 94012214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).