2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H28N2O5 — CID 28577313

IUPAC2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O5/c1-3-21(30-17-9-6-8-16(14-17)28-2)23(27)25-20-12-5-4-11-19(20)22(26)24-15-18-10-7-13-29-18/h4-6,8-9,11-12,14,18,21H,3,7,10,13,15H2,1-2H3,(H,24,26)(H,25,27)/t18-,21+/m0/s1
InChIKeyODNKFEBFZQODHN-GHTZIAJQSA-N
MW412.49 g/mol
LogP3.40
Rot. Bonds9

About 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 28577313) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID28577313
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O5/c1-3-21(30-17-9-6-8-16(14-17)28-2)23(27)25-20-12-5-4-11-19(20)22(26)24-15-18-10-7-13-29-18/h4-6,8-9,11-12,14,18,21H,3,7,10,13,15H2,1-2H3,(H,24,26)(H,25,27)/t18-,21+/m0/s1
InChIKeyODNKFEBFZQODHN-GHTZIAJQSA-N
XLogP3.40
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133255501
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26724505
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92647201
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40746933
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 28577313) is 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ODNKFEBFZQODHN-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-21(30-17-9-6-8-16(14-17)28-2)23(27)25-20-12-5-4-11-19(20)22(26)24-15-18-10-7-13-29-18/h4-6,8-9,11-12,14,18,21H,3,7,10,13,15H2,1-2H3,(H,24,26)(H,25,27)/t18-,21+/m0/s1.
What are the key properties of 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 28577313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).