N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide

C25H34N2O2 — CID 101187552

IUPACN-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(Cc2cccc(NC(=O)CCCCC)c2)c1
InChIInChI=1S/C25H34N2O2/c1-3-5-7-15-24(28)26-22-13-9-11-20(18-22)17-21-12-10-14-23(19-21)27-25(29)16-8-6-4-2/h9-14,18-19H,3-8,15-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUANKQLKWPYNDOP-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.32
Rot. Bonds12

About N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide

N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide (PubChem CID 101187552) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
PubChem CID101187552
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(Cc2cccc(NC(=O)CCCCC)c2)c1
InChIInChI=1S/C25H34N2O2/c1-3-5-7-15-24(28)26-22-13-9-11-20(18-22)17-21-12-10-14-23(19-21)27-25(29)16-8-6-4-2/h9-14,18-19H,3-8,15-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyUANKQLKWPYNDOP-UHFFFAOYSA-N
XLogP6.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
3-[heptyl(pentyl)amino]-N-[3-[[3-[3-[heptyl(pentyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954936
3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-bromophenyl)heptanamide
CID 4596383

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide?
The IUPAC name of N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide (CID 101187552) is N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide?
The canonical SMILES for N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(Cc2cccc(NC(=O)CCCCC)c2)c1.
What is the InChIKey of N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide?
The InChIKey is UANKQLKWPYNDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-5-7-15-24(28)26-22-13-9-11-20(18-22)17-21-12-10-14-23(19-21)27-25(29)16-8-6-4-2/h9-14,18-19H,3-8,15-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide?
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide has a molecular weight of 394.56 g/mol, XLogP of 6.32, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide is sourced from PubChem (CID 101187552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).