N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide

C22H28N2O4 — CID 26161346

IUPACN-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOC)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-9-21(25)23-18-7-6-8-19(16-18)24-22(26)17-10-12-20(13-11-17)28-15-14-27-2/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYDKDGFNQOMHYKA-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.48
Rot. Bonds11

About N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide

N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 26161346) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
PubChem CID26161346
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOC)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-3-4-5-9-21(25)23-18-7-6-8-19(16-18)24-22(26)17-10-12-20(13-11-17)28-15-14-27-2/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYDKDGFNQOMHYKA-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 26161397
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide (CID 26161346) is N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide is CCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOC)cc2)c1.
What is the InChIKey of N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is YDKDGFNQOMHYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-4-5-9-21(25)23-18-7-6-8-19(16-18)24-22(26)17-10-12-20(13-11-17)28-15-14-27-2/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide?
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 26161346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).