4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide

C17H27N3O2 — CID 54834741

IUPAC4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCC(C)NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-12(2)19-15(21)11-18-14-9-7-13(8-10-14)16(22)20-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyOKDFYJHABGXWSQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.54
Rot. Bonds6

About 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide

4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54834741) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54834741
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCC(C)NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-12(2)19-15(21)11-18-14-9-7-13(8-10-14)16(22)20-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyOKDFYJHABGXWSQ-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54834615
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54834741) is 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide is CCC(C)NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is OKDFYJHABGXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-12(2)19-15(21)11-18-14-9-7-13(8-10-14)16(22)20-17(3,4)5/h7-10,12,18H,6,11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54834741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).