N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide

C18H28N2O3 — CID 5120447

IUPACN-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(NC(=O)CCCC)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-4-6-8-10-17(21)19-14-11-12-15(16(13-14)23-3)20-18(22)9-7-5-2/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHNFAVDNGIRIOSD-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.34
Rot. Bonds10

About N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide

N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide (PubChem CID 5120447) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
PubChem CID5120447
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(NC(=O)CCCC)c(OC)c1
InChIInChI=1S/C18H28N2O3/c1-4-6-8-10-17(21)19-14-11-12-15(16(13-14)23-3)20-18(22)9-7-5-2/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyHNFAVDNGIRIOSD-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide?
The IUPAC name of N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide (CID 5120447) is N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide.
What is the SMILES notation for N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide?
The canonical SMILES for N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(NC(=O)CCCC)c(OC)c1.
What is the InChIKey of N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide?
The InChIKey is HNFAVDNGIRIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-6-8-10-17(21)19-14-11-12-15(16(13-14)23-3)20-18(22)9-7-5-2/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide?
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide has a molecular weight of 320.43 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide is sourced from PubChem (CID 5120447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).