4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide

C26H36N2O4 — CID 19348764

IUPAC4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide
SMILESCCCCC(CC(=O)Nc1cc(C(N)=O)ccc1C(C)(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C26H36N2O4/c1-7-8-9-17(20-12-11-19(31-5)16-23(20)32-6)15-24(29)28-22-14-18(25(27)30)10-13-21(22)26(2,3)4/h10-14,16-17H,7-9,15H2,1-6H3,(H2,27,30)(H,28,29)
InChIKeyAHNZLOJEQYUNBB-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.40
Rot. Bonds10

About 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide

4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide (PubChem CID 19348764) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide
PubChem CID19348764
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide
SMILESCCCCC(CC(=O)Nc1cc(C(N)=O)ccc1C(C)(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C26H36N2O4/c1-7-8-9-17(20-12-11-19(31-5)16-23(20)32-6)15-24(29)28-22-14-18(25(27)30)10-13-21(22)26(2,3)4/h10-14,16-17H,7-9,15H2,1-6H3,(H2,27,30)(H,28,29)
InChIKeyAHNZLOJEQYUNBB-UHFFFAOYSA-N
XLogP5.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-3-[3-(4-cyano-2-methoxyphenyl)octanoylamino]benzamide
CID 19348745
N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide
CID 19348478
4-tert-butyl-3-[3-(5-chloro-2,4-dimethoxyphenyl)octanoylamino]benzamide
CID 19348673
3-[3-(5-bromo-2,4-dimethoxyphenyl)octanoylamino]-4-tert-butylbenzamide
CID 19348476
4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)nonanoylamino]-N-(2-methoxyethyl)benzamide
CID 70288003
4-tert-butyl-3-[3-(4-ethoxy-2-methoxyphenyl)octanoylamino]-N-methylbenzamide
CID 70284498
4-tert-butyl-3-[3-(2-methoxy-3-methylphenyl)octanoylamino]benzamide
CID 139799216
methyl 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-5-methylhexanoyl]amino]benzoate
CID 139784349
5-[1-[2-tert-butyl-5-(methylcarbamoyl)anilino]-1-oxooctan-3-yl]-2,4-dimethoxybenzamide
CID 70284419
methyl 4-tert-butyl-3-[3-(2,3,4-trimethoxyphenyl)octanoylamino]benzoate
CID 139784333
4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid
CID 19348654
N-[2-tert-butyl-5-[3-(methylamino)-3-oxopropyl]phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide
CID 19348484

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide?
The IUPAC name of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide (CID 19348764) is 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide.
What is the SMILES notation for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide?
The canonical SMILES for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide is CCCCC(CC(=O)Nc1cc(C(N)=O)ccc1C(C)(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide?
The InChIKey is AHNZLOJEQYUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-7-8-9-17(20-12-11-19(31-5)16-23(20)32-6)15-24(29)28-22-14-18(25(27)30)10-13-21(22)26(2,3)4/h10-14,16-17H,7-9,15H2,1-6H3,(H2,27,30)(H,28,29).
What are the key properties of 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide?
4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide has a molecular weight of 440.58 g/mol, XLogP of 5.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)heptanoylamino]benzamide is sourced from PubChem (CID 19348764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).