N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide

C19H29NO3 — CID 110617824

IUPACN-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCC(C)(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-19(2,3)13-6-14-20-18(22)8-5-7-17(21)15-9-11-16(23-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,20,22)
InChIKeyMGGKHWRSTNPKFU-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.99
Rot. Bonds9

About N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 110617824) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID110617824
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC NameN-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCC(C)(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-19(2,3)13-6-14-20-18(22)8-5-7-17(21)15-9-11-16(23-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,20,22)
InChIKeyMGGKHWRSTNPKFU-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110615072
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 110617824) is N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCCCC(C)(C)C)cc1.
What is the InChIKey of N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is MGGKHWRSTNPKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(2,3)13-6-14-20-18(22)8-5-7-17(21)15-9-11-16(23-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,20,22).
What are the key properties of N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 319.44 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 110617824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).