3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide

C17H25N3O3 — CID 51091817

IUPAC3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-5-14(21)19-12-6-8-13(9-7-12)20-16(23)11-18-15(22)10-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBDZOVANDMMFRQA-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.53
Rot. Bonds6

About 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide

3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide (PubChem CID 51091817) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
PubChem CID51091817
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-5-14(21)19-12-6-8-13(9-7-12)20-16(23)11-18-15(22)10-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBDZOVANDMMFRQA-UHFFFAOYSA-N
XLogP2.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
N-[2-(4-hydroxyanilino)-2-oxoethyl]propanamide
CID 59961348
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829882
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide (CID 51091817) is 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide is CCC(=O)Nc1ccc(NC(=O)CNC(=O)CC(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide?
The InChIKey is BDZOVANDMMFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-5-14(21)19-12-6-8-13(9-7-12)20-16(23)11-18-15(22)10-17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide?
3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide has a molecular weight of 319.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide is sourced from PubChem (CID 51091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).