N-tert-butyl-3-(2-ethylbutanoylamino)benzamide

C17H26N2O2 — CID 974075

IUPACN-tert-butyl-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-6-12(7-2)15(20)18-14-10-8-9-13(11-14)16(21)19-17(3,4)5/h8-12H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRBIBJPCBHKQAOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.59
Rot. Bonds5

About N-tert-butyl-3-(2-ethylbutanoylamino)benzamide

N-tert-butyl-3-(2-ethylbutanoylamino)benzamide (PubChem CID 974075) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-3-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-ethylbutanoylamino)benzamide
PubChem CID974075
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-tert-butyl-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-6-12(7-2)15(20)18-14-10-8-9-13(11-14)16(21)19-17(3,4)5/h8-12H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRBIBJPCBHKQAOT-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1645
N-Acetylprocainamide
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Ar-42
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Benodanil
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N-(2-aminophenyl)benzamide
CID 759408
4'-Methylbenzanilide
CID 68497
Benzanilide
CID 7168
Cpi 1189
CID 151118
Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
2-Amino-N-phenylbenzamide
CID 78142
3-Aminobenzanilide
CID 84347
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-tert-butyl-3-(2-ethylbutanoylamino)benzamide (CID 974075) is N-tert-butyl-3-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-3-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-3-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(2-ethylbutanoylamino)benzamide?
The InChIKey is RBIBJPCBHKQAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-12(7-2)15(20)18-14-10-8-9-13(11-14)16(21)19-17(3,4)5/h8-12H,6-7H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-tert-butyl-3-(2-ethylbutanoylamino)benzamide?
N-tert-butyl-3-(2-ethylbutanoylamino)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 974075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).