3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide

C37H38N4O4 — CID 2849840

IUPAC3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2cc(NC(=O)c4cccc(NC(=O)C(C)(C)C)c4)ccc2C3)c1
InChIInChI=1S/C37H38N4O4/c1-36(2,3)34(44)40-26-11-7-9-24(18-26)32(42)38-28-15-13-22-17-23-14-16-29(21-31(23)30(22)20-28)39-33(43)25-10-8-12-27(19-25)41-35(45)37(4,5)6/h7-16,18-21H,17H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)
InChIKeyRJNMVXXBPTWWSX-UHFFFAOYSA-N
MW602.74 g/mol
LogP7.73
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide (PubChem CID 2849840) has the molecular formula C37H38N4O4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
PubChem CID2849840
Molecular FormulaC37H38N4O4
Molecular Weight602.74 g/mol
Exact Mass602.29
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2cc(NC(=O)c4cccc(NC(=O)C(C)(C)C)c4)ccc2C3)c1
InChIInChI=1S/C37H38N4O4/c1-36(2,3)34(44)40-26-11-7-9-24(18-26)32(42)38-28-15-13-22-17-23-14-16-29(21-31(23)30(22)20-28)39-33(43)25-10-8-12-27(19-25)41-35(45)37(4,5)6/h7-16,18-21H,17H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)
InChIKeyRJNMVXXBPTWWSX-UHFFFAOYSA-N
XLogP7.73
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 57.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-(2,2-dimethylpropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 35371656
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide (CID 2849840) is 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)-c2cc(NC(=O)c4cccc(NC(=O)C(C)(C)C)c4)ccc2C3)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide?
The InChIKey is RJNMVXXBPTWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4O4/c1-36(2,3)34(44)40-26-11-7-9-24(18-26)32(42)38-28-15-13-22-17-23-14-16-29(21-31(23)30(22)20-28)39-33(43)25-10-8-12-27(19-25)41-35(45)37(4,5)6/h7-16,18-21H,17H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide has a molecular weight of 602.74 g/mol, XLogP of 7.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide is sourced from PubChem (CID 2849840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).