3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C18H28N2O2 — CID 9301786

IUPAC3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)20-17(22)12-19-16(21)11-8-14-6-9-15(10-7-14)18(3,4)5/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyPYJFGJGMMDUQKT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.56
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 9301786) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID9301786
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)20-17(22)12-19-16(21)11-8-14-6-9-15(10-7-14)18(3,4)5/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyPYJFGJGMMDUQKT-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626203
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 9301786) is 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=O)CNC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is PYJFGJGMMDUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)20-17(22)12-19-16(21)11-8-14-6-9-15(10-7-14)18(3,4)5/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 9301786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).