2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C24H30N2O4 — CID 9319672

IUPAC2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H30N2O4/c1-3-17(2)18-10-12-19(13-11-18)30-16-23(27)26-22-9-5-4-8-21(22)24(28)25-15-20-7-6-14-29-20/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,27)/t17-,20+/m1/s1
InChIKeyJSGUQKAFBFHPRU-XLIONFOSSA-N
MW410.51 g/mol
LogP4.13
Rot. Bonds9

About 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 9319672) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID9319672
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H30N2O4/c1-3-17(2)18-10-12-19(13-11-18)30-16-23(27)26-22-9-5-4-8-21(22)24(28)25-15-20-7-6-14-29-20/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,27)/t17-,20+/m1/s1
InChIKeyJSGUQKAFBFHPRU-XLIONFOSSA-N
XLogP4.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133255501
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 9319672) is 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is JSGUQKAFBFHPRU-XLIONFOSSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-17(2)18-10-12-19(13-11-18)30-16-23(27)26-22-9-5-4-8-21(22)24(28)25-15-20-7-6-14-29-20/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,27)/t17-,20+/m1/s1.
What are the key properties of 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 9319672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).