2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid

C32H57N3O5 — CID 156644383

IUPAC2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCN(CC)C(=O)CC1(CC(=O)N(CC)CCCCN(CC)C(=O)CC2(CC(=O)O)CCCCC2)CCCCC1
InChIInChI=1S/C32H57N3O5/c1-5-33(6-2)27(36)23-31(17-11-9-12-18-31)24-28(37)34(7-3)21-15-16-22-35(8-4)29(38)25-32(26-30(39)40)19-13-10-14-20-32/h5-26H2,1-4H3,(H,39,40)
InChIKeyFPIIAZWCLVSQMQ-UHFFFAOYSA-N
MW563.82 g/mol
LogP5.88
Rot. Bonds17

About 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 156644383) has the molecular formula C32H57N3O5 and a molecular weight of 563.82 g/mol. Its IUPAC name is 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID156644383
Molecular FormulaC32H57N3O5
Molecular Weight563.82 g/mol
Exact Mass563.43
IUPAC Name2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCN(CC)C(=O)CC1(CC(=O)N(CC)CCCCN(CC)C(=O)CC2(CC(=O)O)CCCCC2)CCCCC1
InChIInChI=1S/C32H57N3O5/c1-5-33(6-2)27(36)23-31(17-11-9-12-18-31)24-28(37)34(7-3)21-15-16-22-35(8-4)29(38)25-32(26-30(39)40)19-13-10-14-20-32/h5-26H2,1-4H3,(H,39,40)
InChIKeyFPIIAZWCLVSQMQ-UHFFFAOYSA-N
XLogP5.88
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.82
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid 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 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 156644383) is 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid is CCN(CC)C(=O)CC1(CC(=O)N(CC)CCCCN(CC)C(=O)CC2(CC(=O)O)CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is FPIIAZWCLVSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N3O5/c1-5-33(6-2)27(36)23-31(17-11-9-12-18-31)24-28(37)34(7-3)21-15-16-22-35(8-4)29(38)25-32(26-30(39)40)19-13-10-14-20-32/h5-26H2,1-4H3,(H,39,40).
What are the key properties of 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 563.82 g/mol, XLogP of 5.88, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-[[2-[1-[2-(diethylamino)-2-oxoethyl]cyclohexyl]acetyl]-ethylamino]butyl-ethylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 156644383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).