N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

C23H36N4O3 — CID 4879277

IUPACN-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-18(23(29)24-16-19-6-4-3-5-7-19)26(2)17-22(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyIASLWXRHPMDUJW-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.48
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 4879277) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
PubChem CID4879277
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-18(23(29)24-16-19-6-4-3-5-7-19)26(2)17-22(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyIASLWXRHPMDUJW-UHFFFAOYSA-N
XLogP2.48
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide 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-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (CID 4879277) is N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is CC(C(=O)NCC1CCCCC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is IASLWXRHPMDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-18(23(29)24-16-19-6-4-3-5-7-19)26(2)17-22(28)25-20-8-10-21(11-9-20)27-12-14-30-15-13-27/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 416.57 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 4879277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).