4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide

C25H39Cl2N5O6 — CID 177061927

IUPAC4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C25H39Cl2N5O6/c1-19-18-32(20-4-5-21(26)22(27)17-20)31-25(19)30-24(34)3-2-8-29-23(33)6-9-35-11-13-37-15-16-38-14-12-36-10-7-28/h4-5,17,19H,2-3,6-16,18,28H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyDMMZGDHWPJSEIM-UHFFFAOYSA-N
MW576.52 g/mol
LogP2.19
Rot. Bonds19

About 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide

4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide (PubChem CID 177061927) has the molecular formula C25H39Cl2N5O6 and a molecular weight of 576.52 g/mol. Its IUPAC name is 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide.

Molecular Properties

Compound Name4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide
PubChem CID177061927
Molecular FormulaC25H39Cl2N5O6
Molecular Weight576.52 g/mol
Exact Mass575.23
IUPAC Name4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C25H39Cl2N5O6/c1-19-18-32(20-4-5-21(26)22(27)17-20)31-25(19)30-24(34)3-2-8-29-23(33)6-9-35-11-13-37-15-16-38-14-12-36-10-7-28/h4-5,17,19H,2-3,6-16,18,28H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyDMMZGDHWPJSEIM-UHFFFAOYSA-N
XLogP2.19
TPSA136.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.52
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide 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 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide?
The IUPAC name of 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide (CID 177061927) is 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide.
What is the SMILES notation for 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide?
The canonical SMILES for 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide is CC1CN(c2ccc(Cl)c(Cl)c2)N=C1NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN.
What is the InChIKey of 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide?
The InChIKey is DMMZGDHWPJSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39Cl2N5O6/c1-19-18-32(20-4-5-21(26)22(27)17-20)31-25(19)30-24(34)3-2-8-29-23(33)6-9-35-11-13-37-15-16-38-14-12-36-10-7-28/h4-5,17,19H,2-3,6-16,18,28H2,1H3,(H,29,33)(H,30,31,34).
What are the key properties of 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide?
4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide has a molecular weight of 576.52 g/mol, XLogP of 2.19, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-(3,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazol-5-yl]butanamide is sourced from PubChem (CID 177061927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).