3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide

C17H27N3O2 — CID 54832401

IUPAC3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)16(22)13-9-8-10-14(11-13)18-12-15(21)19-17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyRMQQDZQUZIEJBE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds6

About 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide

3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54832401) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54832401
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)16(22)13-9-8-10-14(11-13)18-12-15(21)19-17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyRMQQDZQUZIEJBE-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54832401) is 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is RMQQDZQUZIEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-20(7-2)16(22)13-9-8-10-14(11-13)18-12-15(21)19-17(3,4)5/h8-11,18H,6-7,12H2,1-5H3,(H,19,21).
What are the key properties of 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54832401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).