3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C19H29N3O3 — CID 134057619

IUPAC3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H29N3O3/c1-7-22(12-16(23)20-13(2)3)17(24)14-9-8-10-15(11-14)21-18(25)19(4,5)6/h8-11,13H,7,12H2,1-6H3,(H,20,23)(H,21,25)
InChIKeyVQEPKKJSZWMILX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.66
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 134057619) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID134057619
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H29N3O3/c1-7-22(12-16(23)20-13(2)3)17(24)14-9-8-10-15(11-14)21-18(25)19(4,5)6/h8-11,13H,7,12H2,1-6H3,(H,20,23)(H,21,25)
InChIKeyVQEPKKJSZWMILX-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 134057619) is 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is VQEPKKJSZWMILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-7-22(12-16(23)20-13(2)3)17(24)14-9-8-10-15(11-14)21-18(25)19(4,5)6/h8-11,13H,7,12H2,1-6H3,(H,20,23)(H,21,25).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 134057619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).