N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide

C21H30N2O2 — CID 86901395

IUPACN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)C(C)(C)C
InChIInChI=1S/C21H30N2O2/c1-15(21(2,3)4)13-19(24)22-17-11-7-8-12-18(17)23-20(25)14-16-9-5-6-10-16/h5,7-9,11-12,15-16H,6,10,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUCPHHHMHDFPTPQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.99
Rot. Bonds6

About N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide

N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide (PubChem CID 86901395) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
PubChem CID86901395
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)C(C)(C)C
InChIInChI=1S/C21H30N2O2/c1-15(21(2,3)4)13-19(24)22-17-11-7-8-12-18(17)23-20(25)14-16-9-5-6-10-16/h5,7-9,11-12,15-16H,6,10,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUCPHHHMHDFPTPQ-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 78807815
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]hexa-2,4-dienamide
CID 72688727
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
CID 63823020
2-cyclopent-2-en-1-yl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 18166613
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide (CID 86901395) is N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccccc1NC(=O)CC1C=CCC1)C(C)(C)C.
What is the InChIKey of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide?
The InChIKey is UCPHHHMHDFPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(21(2,3)4)13-19(24)22-17-11-7-8-12-18(17)23-20(25)14-16-9-5-6-10-16/h5,7-9,11-12,15-16H,6,10,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide?
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide has a molecular weight of 342.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 86901395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).