N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide

C25H35N3O2 — CID 25029477

IUPACN-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)CCCCC(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C25H35N3O2/c1-4-5-7-17-28(3)18-8-6-12-25(30)27-23-15-13-21(14-16-23)22-10-9-11-24(19-22)26-20(2)29/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPCVPNAQUVGVSSA-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.54
Rot. Bonds12

About N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide

N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide (PubChem CID 25029477) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide.

Molecular Properties

Compound NameN-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide
PubChem CID25029477
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide
SMILESCCCCCN(C)CCCCC(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C25H35N3O2/c1-4-5-7-17-28(3)18-8-6-12-25(30)27-23-15-13-21(14-16-23)22-10-9-11-24(19-22)26-20(2)29/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPCVPNAQUVGVSSA-UHFFFAOYSA-N
XLogP5.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.54
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

N-(4-acetamidophenyl)hexanamide
CID 4953736
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide?
The IUPAC name of N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide (CID 25029477) is N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide.
What is the SMILES notation for N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide?
The canonical SMILES for N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide is CCCCCN(C)CCCCC(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide?
The InChIKey is PCVPNAQUVGVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-4-5-7-17-28(3)18-8-6-12-25(30)27-23-15-13-21(14-16-23)22-10-9-11-24(19-22)26-20(2)29/h9-11,13-16,19H,4-8,12,17-18H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide?
N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide has a molecular weight of 409.57 g/mol, XLogP of 5.54, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidophenyl)phenyl]-5-[methyl(pentyl)amino]pentanamide is sourced from PubChem (CID 25029477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).