N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

C22H26N2O4 — CID 26706316

IUPACN-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C22H26N2O4/c1-4-15(3)23-22(27)18-8-6-7-9-19(18)24-21(26)14-28-17-12-10-16(11-13-17)20(25)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m1/s1
InChIKeyHFKLNJCYGWJKKV-OAHLLOKOSA-N
MW382.46 g/mol
LogP3.83
Rot. Bonds9

About N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (PubChem CID 26706316) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
PubChem CID26706316
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C22H26N2O4/c1-4-15(3)23-22(27)18-8-6-7-9-19(18)24-21(26)14-28-17-12-10-16(11-13-17)20(25)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m1/s1
InChIKeyHFKLNJCYGWJKKV-OAHLLOKOSA-N
XLogP3.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (CID 26706316) is N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The InChIKey is HFKLNJCYGWJKKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-15(3)23-22(27)18-8-6-7-9-19(18)24-21(26)14-28-17-12-10-16(11-13-17)20(25)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26706316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).