N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

C22H29N3O5 — CID 11429930

IUPACN-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCOc1cc(N2CCN(CC(O)COc3ccccc3NC(C)=O)CC2)ccc1O
InChIInChI=1S/C22H29N3O5/c1-16(26)23-19-5-3-4-6-21(19)30-15-18(27)14-24-9-11-25(12-10-24)17-7-8-20(28)22(13-17)29-2/h3-8,13,18,27-28H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyMXZGRDMOUWOERR-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.92
Rot. Bonds8

About N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide (PubChem CID 11429930) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
PubChem CID11429930
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCOc1cc(N2CCN(CC(O)COc3ccccc3NC(C)=O)CC2)ccc1O
InChIInChI=1S/C22H29N3O5/c1-16(26)23-19-5-3-4-6-21(19)30-15-18(27)14-24-9-11-25(12-10-24)17-7-8-20(28)22(13-17)29-2/h3-8,13,18,27-28H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyMXZGRDMOUWOERR-UHFFFAOYSA-N
XLogP1.92
TPSA94.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide 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-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide (CID 11429930) is N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide is COc1cc(N2CCN(CC(O)COc3ccccc3NC(C)=O)CC2)ccc1O.
What is the InChIKey of N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is MXZGRDMOUWOERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-16(26)23-19-5-3-4-6-21(19)30-15-18(27)14-24-9-11-25(12-10-24)17-7-8-20(28)22(13-17)29-2/h3-8,13,18,27-28H,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 11429930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).