N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide

C17H26N2O3 — CID 47072533

IUPACN-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
SMILESCCOC(CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-14(22-7-2)16(21)18-13-10-8-12(9-11-13)15(20)19-17(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUUJTXMXHRRHBGL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds6

About N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide

N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide (PubChem CID 47072533) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
PubChem CID47072533
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
SMILESCCOC(CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-14(22-7-2)16(21)18-13-10-8-12(9-11-13)15(20)19-17(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUUJTXMXHRRHBGL-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
ethyl 3-[4-(tert-butylcarbamoyl)anilino]-3-oxopropanoate
CID 17199584
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide?
The IUPAC name of N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide (CID 47072533) is N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide is CCOC(CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide?
The InChIKey is UUJTXMXHRRHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-14(22-7-2)16(21)18-13-10-8-12(9-11-13)15(20)19-17(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide?
N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide is sourced from PubChem (CID 47072533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).