N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide

C21H26N2O4 — CID 40521638

IUPACN-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H26N2O4/c1-21(2,3)13-19(24)22-15-11-18(27-5)16(12-17(15)26-4)23-20(25)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyXXFQLTORRCUZJZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.33
Rot. Bonds6

About N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide

N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide (PubChem CID 40521638) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
PubChem CID40521638
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H26N2O4/c1-21(2,3)13-19(24)22-15-11-18(27-5)16(12-17(15)26-4)23-20(25)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyXXFQLTORRCUZJZ-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 16576405
N-(4-benzamido-2,5-dimethoxyphenyl)-N'-(1-phenylethyl)butanediamide
CID 4203137
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide (CID 40521638) is N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide?
The InChIKey is XXFQLTORRCUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)13-19(24)22-15-11-18(27-5)16(12-17(15)26-4)23-20(25)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide?
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 40521638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).