2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H28N2O4 — CID 30380376

IUPAC2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4/c1-3-17-9-4-7-13-21(17)29-16(2)22(26)25-20-12-6-5-11-19(20)23(27)24-15-18-10-8-14-28-18/h4-7,9,11-13,16,18H,3,8,10,14-15H2,1-2H3,(H,24,27)(H,25,26)/t16-,18-/m0/s1
InChIKeySWWSTBUJKCDVBT-WMZOPIPTSA-N
MW396.49 g/mol
LogP3.56
Rot. Bonds8

About 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 30380376) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID30380376
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4/c1-3-17-9-4-7-13-21(17)29-16(2)22(26)25-20-12-6-5-11-19(20)23(27)24-15-18-10-8-14-28-18/h4-7,9,11-13,16,18H,3,8,10,14-15H2,1-2H3,(H,24,27)(H,25,26)/t16-,18-/m0/s1
InChIKeySWWSTBUJKCDVBT-WMZOPIPTSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzamide
CID 30393276
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40746933
2-[2-(4-bromophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415608
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
N-[[(2S)-oxolan-2-yl]methyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
CID 100532119
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133255501
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 30380376) is 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SWWSTBUJKCDVBT-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-17-9-4-7-13-21(17)29-16(2)22(26)25-20-12-6-5-11-19(20)23(27)24-15-18-10-8-14-28-18/h4-7,9,11-13,16,18H,3,8,10,14-15H2,1-2H3,(H,24,27)(H,25,26)/t16-,18-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 30380376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).