N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide

C23H28N2O4 — CID 17361745

IUPACN-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C23H28N2O4/c1-15-11-17(3)21(12-16(15)2)29-14-22(26)25-20-9-5-4-8-19(20)23(27)24-13-18-7-6-10-28-18/h4-5,8-9,11-12,18H,6-7,10,13-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyIKBJRDKMAOHROI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.54
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide

N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17361745) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
PubChem CID17361745
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C23H28N2O4/c1-15-11-17(3)21(12-16(15)2)29-14-22(26)25-20-9-5-4-8-19(20)23(27)24-13-18-7-6-10-28-18/h4-5,8-9,11-12,18H,6-7,10,13-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyIKBJRDKMAOHROI-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46420350
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17051638
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9319672
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41208350
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide (CID 17361745) is N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide is Cc1cc(C)c(OCC(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is IKBJRDKMAOHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15-11-17(3)21(12-16(15)2)29-14-22(26)25-20-9-5-4-8-19(20)23(27)24-13-18-7-6-10-28-18/h4-5,8-9,11-12,18H,6-7,10,13-14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17361745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).