N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide

C18H26N2O3 — CID 108540679

IUPACN-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCNC(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-4-5-17(22)19-12-13-20-18(23)11-10-16(21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJYFYTLYREATGTK-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.38
Rot. Bonds10

About N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide

N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide (PubChem CID 108540679) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
PubChem CID108540679
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCNC(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-4-5-17(22)19-12-13-20-18(23)11-10-16(21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJYFYTLYREATGTK-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.38
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

2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide?
The IUPAC name of N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide (CID 108540679) is N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide?
The canonical SMILES for N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide is CCCCC(=O)NCCNC(=O)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide?
The InChIKey is JYFYTLYREATGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-4-5-17(22)19-12-13-20-18(23)11-10-16(21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide?
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide has a molecular weight of 318.42 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide is sourced from PubChem (CID 108540679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).