2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide

C18H26N2O3 — CID 108540704

IUPAC2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13-5-7-14(8-6-13)15(21)9-10-16(22)19-11-12-20-17(23)18(2,3)4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWDCATLYCIXKNPH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds7

About 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide

2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide (PubChem CID 108540704) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
PubChem CID108540704
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13-5-7-14(8-6-13)15(21)9-10-16(22)19-11-12-20-17(23)18(2,3)4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWDCATLYCIXKNPH-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108540659

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide (CID 108540704) is 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide is Cc1ccc(C(=O)CCC(=O)NCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide?
The InChIKey is WDCATLYCIXKNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-5-7-14(8-6-13)15(21)9-10-16(22)19-11-12-20-17(23)18(2,3)4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide is sourced from PubChem (CID 108540704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).