2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride

C33H51Cl2N7O5 — CID 154984243

About 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride

2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride (PubChem CID 154984243) has the molecular formula C33H51Cl2N7O5 and a molecular weight of 696.72 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride
• PubChem CID: 154984243
• Molecular Formula: C33H51Cl2N7O5
• Molecular Weight: 696.72 g/mol
• Exact Mass: 695.33
• IUPAC Name: 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride
• SMILES: CC(C)N(CCN(C)C(=O)COCCOCCN)C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl
• InChI: InChI=1S/C33H50ClN7O5.ClH/c1-23(2)41(11-10-38(4)29(43)21-46-18-17-45-16-9-35)20-27(25-5-7-26(34)8-6-25)33(44)40-14-12-39(13-15-40)32-30-24(3)19-28(42)31(30)36-22-37-32;/h5-8,22-24,27-28,42H,9-21,35H2,1-4H3;1H/t24-,27-,28-;/m1./s1
• InChIKey: QZLXIJBECZEERX-DTQALWCBSA-N
• XLogP: 2.69
• TPSA: 137.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	696.72
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride (CID 154984243) is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride.

What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride is CC(C)N(CCN(C)C(=O)COCCOCCN)C[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl.

What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

The InChIKey is QZLXIJBECZEERX-DTQALWCBSA-N. The full InChI is InChI=1S/C33H50ClN7O5.ClH/c1-23(2)41(11-10-38(4)29(43)21-46-18-17-45-16-9-35)20-27(25-5-7-26(34)8-6-25)33(44)40-14-12-39(13-15-40)32-30-24(3)19-28(42)31(30)36-22-37-32;/h5-8,22-24,27-28,42H,9-21,35H2,1-4H3;1H/t24-,27-,28-;/m1./s1.

What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride?

2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride has a molecular weight of 696.72 g/mol, XLogP of 2.69, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-propan-2-ylamino]ethyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 154984243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).