N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide

C21H30N2O3 — CID 166182165

IUPACN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide
SMILESCC(C)Cc1ccc(CCCC(=O)NCCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-16(2)15-18-11-9-17(10-12-18)5-3-6-19(24)22-13-14-23-20(25)7-4-8-21(23)26/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyQILZMKVNKSQCPT-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.86
Rot. Bonds9

About N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide

N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide (PubChem CID 166182165) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide
PubChem CID166182165
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide
SMILESCC(C)Cc1ccc(CCCC(=O)NCCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-16(2)15-18-11-9-17(10-12-18)5-3-6-19(24)22-13-14-23-20(25)7-4-8-21(23)26/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyQILZMKVNKSQCPT-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
CID 116847692
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111500338
4-[4-(2-methylpropyl)phenyl]butanoyl chloride
CID 93185946
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
CID 58473665
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111500485
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 111500491
2-[4-(2-methylpropyl)phenyl]ethylcarbamothioic S-acid
CID 115170240
(2R)-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-thiophen-2-ylpropanamide
CID 95905607
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide (CID 166182165) is N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide is CC(C)Cc1ccc(CCCC(=O)NCCN2C(=O)CCCC2=O)cc1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide?
The InChIKey is QILZMKVNKSQCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(2)15-18-11-9-17(10-12-18)5-3-6-19(24)22-13-14-23-20(25)7-4-8-21(23)26/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide?
N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide has a molecular weight of 358.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide is sourced from PubChem (CID 166182165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).