N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide

C25H33N3O2 — CID 16891945

IUPACN-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCCc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19-9-7-10-20(2)23(19)27-25(30)24(29)26-16-8-11-21-12-14-22(15-13-21)28-17-5-3-4-6-18-28/h7,9-10,12-15H,3-6,8,11,16-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyAMSPZXYJDVLRCQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.37
Rot. Bonds6

About N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide

N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide (PubChem CID 16891945) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
PubChem CID16891945
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCCc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19-9-7-10-20(2)23(19)27-25(30)24(29)26-16-8-11-21-12-14-22(15-13-21)28-17-5-3-4-6-18-28/h7,9-10,12-15H,3-6,8,11,16-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyAMSPZXYJDVLRCQ-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide 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-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 16891935
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
N'-(2-methyl-4-nitrophenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892131
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892053
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide (CID 16891945) is N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)NCCCc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide?
The InChIKey is AMSPZXYJDVLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-9-7-10-20(2)23(19)27-25(30)24(29)26-16-8-11-21-12-14-22(15-13-21)28-17-5-3-4-6-18-28/h7,9-10,12-15H,3-6,8,11,16-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide?
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide has a molecular weight of 407.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 16891945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).