N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide

C23H28ClN3O3 — CID 16893167

IUPACN'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H28ClN3O3/c1-17-19(24)10-7-11-20(17)26-23(29)22(28)25-12-5-6-13-27-14-15-30-21(16-27)18-8-3-2-4-9-18/h2-4,7-11,21H,5-6,12-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyARHWQJMKBDQQEQ-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.56
Rot. Bonds7

About N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (PubChem CID 16893167) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
PubChem CID16893167
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H28ClN3O3/c1-17-19(24)10-7-11-20(17)26-23(29)22(28)25-12-5-6-13-27-14-15-30-21(16-27)18-8-3-2-4-9-18/h2-4,7-11,21H,5-6,12-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyARHWQJMKBDQQEQ-UHFFFAOYSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (CID 16893167) is N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The InChIKey is ARHWQJMKBDQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-17-19(24)10-7-11-20(17)26-23(29)22(28)25-12-5-6-13-27-14-15-30-21(16-27)18-8-3-2-4-9-18/h2-4,7-11,21H,5-6,12-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide has a molecular weight of 429.95 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide is sourced from PubChem (CID 16893167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).