N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide

C25H31N3O4 — CID 17171661

IUPACN-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C25H31N3O4/c1-15(29)16-9-8-10-18(11-16)26-21(30)17-12-19(27-22(31)24(2,3)4)14-20(13-17)28-23(32)25(5,6)7/h8-14H,1-7H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyODZXCMKCFBWYFI-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.11
Rot. Bonds5

About N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide

N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide (PubChem CID 17171661) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
PubChem CID17171661
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C25H31N3O4/c1-15(29)16-9-8-10-18(11-16)26-21(30)17-12-19(27-22(31)24(2,3)4)14-20(13-17)28-23(32)25(5,6)7/h8-14H,1-7H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyODZXCMKCFBWYFI-UHFFFAOYSA-N
XLogP5.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
CID 60609638
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide (CID 17171661) is N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide is CC(=O)c1cccc(NC(=O)c2cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is ODZXCMKCFBWYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-15(29)16-9-8-10-18(11-16)26-21(30)17-12-19(27-22(31)24(2,3)4)14-20(13-17)28-23(32)25(5,6)7/h8-14H,1-7H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide?
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 437.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 17171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).