2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid

C34H50ClN7O7 — CID 155069185

About 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid

2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid (PubChem CID 155069185) has the molecular formula C34H50ClN7O7 and a molecular weight of 704.27 g/mol. Its IUPAC name is 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
• PubChem CID: 155069185
• Molecular Formula: C34H50ClN7O7
• Molecular Weight: 704.27 g/mol
• Exact Mass: 703.35
• IUPAC Name: 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
• SMILES: CC(C)N(CCN(C)C(=O)COCCOCCNC(=O)O)CC(C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C34H50ClN7O7/c1-23(2)42(11-10-39(4)29(44)21-49-18-17-48-16-9-36-34(46)47)20-27(25-5-7-26(35)8-6-25)33(45)41-14-12-40(13-15-41)32-30-24(3)19-28(43)31(30)37-22-38-32/h5-8,22-24,27-28,36,43H,9-21H2,1-4H3,(H,46,47)/t24-,27?,28-/m1/s1
• InChIKey: ZLDQDVMVDIFYQX-KPEOJYHJSA-N
• XLogP: 2.57
• TPSA: 160.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	704.27
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
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-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid?

The IUPAC name of 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid (CID 155069185) is 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid.

What is the SMILES notation for 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid?

The canonical SMILES for 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid is CC(C)N(CCN(C)C(=O)COCCOCCNC(=O)O)CC(C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.

What is the InChIKey of 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid?

The InChIKey is ZLDQDVMVDIFYQX-KPEOJYHJSA-N. The full InChI is InChI=1S/C34H50ClN7O7/c1-23(2)42(11-10-39(4)29(44)21-49-18-17-48-16-9-36-34(46)47)20-27(25-5-7-26(35)8-6-25)33(45)41-14-12-40(13-15-41)32-30-24(3)19-28(43)31(30)37-22-38-32/h5-8,22-24,27-28,36,43H,9-21H2,1-4H3,(H,46,47)/t24-,27?,28-/m1/s1.

What are the key properties of 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid?

2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 704.27 g/mol, XLogP of 2.57, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[[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-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 155069185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).