3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide

C17H25N3O3 — CID 51172752

IUPAC3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H25N3O3/c1-6-20(11-15(22)19-17(3,4)5)16(23)13-8-7-9-14(10-13)18-12(2)21/h7-10H,6,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyHJNRWIWVOYCBER-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.02
Rot. Bonds5

About 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide

3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 51172752) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID51172752
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H25N3O3/c1-6-20(11-15(22)19-17(3,4)5)16(23)13-8-7-9-14(10-13)18-12(2)21/h7-10H,6,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyHJNRWIWVOYCBER-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 134057619
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
CID 79264867
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide (CID 51172752) is 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is HJNRWIWVOYCBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-6-20(11-15(22)19-17(3,4)5)16(23)13-8-7-9-14(10-13)18-12(2)21/h7-10H,6,11H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide?
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 51172752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).