3,5-diacetamido-2-tert-butylbenzamide

C15H21N3O3 — CID 23225863

IUPAC3,5-diacetamido-2-tert-butylbenzamide
SMILESCC(=O)Nc1cc(NC(C)=O)c(C(C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-8(19)17-10-6-11(14(16)21)13(15(3,4)5)12(7-10)18-9(2)20/h6-7H,1-5H3,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyRWJJTWRPEYWWLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds3

About 3,5-diacetamido-2-tert-butylbenzamide

3,5-diacetamido-2-tert-butylbenzamide (PubChem CID 23225863) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,5-diacetamido-2-tert-butylbenzamide.

Molecular Properties

Compound Name3,5-diacetamido-2-tert-butylbenzamide
PubChem CID23225863
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3,5-diacetamido-2-tert-butylbenzamide
SMILESCC(=O)Nc1cc(NC(C)=O)c(C(C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-8(19)17-10-6-11(14(16)21)13(15(3,4)5)12(7-10)18-9(2)20/h6-7H,1-5H3,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyRWJJTWRPEYWWLO-UHFFFAOYSA-N
XLogP2.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
2,4,6-triacetamidobenzoic acid
CID 155677349
4-acetamido-2-(2-methylbutan-2-yl)benzamide
CID 21255735
3-acetamido-5-tert-butylbenzoic acid
CID 59551438
3-acetamido-2-hydroxybenzamide
CID 66833068
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
5-acetamido-3-amino-2-hydroxybenzoic acid
CID 154386906
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
4-acetamido-2-hydrazinylbenzoic acid
CID 163448849

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-2-tert-butylbenzamide?
The IUPAC name of 3,5-diacetamido-2-tert-butylbenzamide (CID 23225863) is 3,5-diacetamido-2-tert-butylbenzamide.
What is the SMILES notation for 3,5-diacetamido-2-tert-butylbenzamide?
The canonical SMILES for 3,5-diacetamido-2-tert-butylbenzamide is CC(=O)Nc1cc(NC(C)=O)c(C(C)(C)C)c(C(N)=O)c1.
What is the InChIKey of 3,5-diacetamido-2-tert-butylbenzamide?
The InChIKey is RWJJTWRPEYWWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-8(19)17-10-6-11(14(16)21)13(15(3,4)5)12(7-10)18-9(2)20/h6-7H,1-5H3,(H2,16,21)(H,17,19)(H,18,20).
What are the key properties of 3,5-diacetamido-2-tert-butylbenzamide?
3,5-diacetamido-2-tert-butylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-2-tert-butylbenzamide is sourced from PubChem (CID 23225863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).