N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide

C19H29NO2 — CID 158144482

IUPACN-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)CCc1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(21)12-11-14-7-9-15(10-8-14)13-20-17(22)19(4,5)6/h7-10H,11-13H2,1-6H3,(H,20,22)
InChIKeyRJMIZGMZUYKVAC-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.90
Rot. Bonds5

About N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 158144482) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID158144482
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)CCc1ccc(CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(21)12-11-14-7-9-15(10-8-14)13-20-17(22)19(4,5)6/h7-10H,11-13H2,1-6H3,(H,20,22)
InChIKeyRJMIZGMZUYKVAC-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
methyl 4-[4-[(2,2-dimethylpropanoylamino)methyl]phenyl]-4-oxobutanoate
CID 160754941
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
CID 108542872
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 160974757
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
2-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347462
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
CID 130396721

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 158144482) is N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)CCc1ccc(CNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is RJMIZGMZUYKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2,3)16(21)12-11-14-7-9-15(10-8-14)13-20-17(22)19(4,5)6/h7-10H,11-13H2,1-6H3,(H,20,22).
What are the key properties of N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-dimethyl-3-oxopentyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158144482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).