(2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C33H45ClN4O3 — CID 142156628

About (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

(2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 142156628) has the molecular formula C33H45ClN4O3 and a molecular weight of 581.20 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 142156628
• Molecular Formula: C33H45ClN4O3
• Molecular Weight: 581.20 g/mol
• Exact Mass: 580.32
• IUPAC Name: (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: CCN(CC)C(=O)C(C(C)C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3C2)CC1
• InChI: InChI=1S/C33H45ClN4O3/c1-5-36(6-2)33(41)30(23(3)4)37-17-19-38(20-18-37)32(40)29(21-24-11-15-28(34)16-12-24)35-31(39)27-14-13-25-9-7-8-10-26(25)22-27/h7-12,15-16,23,27,29-30H,5-6,13-14,17-22H2,1-4H3,(H,35,39)/t27-,29-,30?/m1/s1
• InChIKey: CRZHGJZLMWVBGN-MODKJIOJSA-N
• XLogP: 4.21
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.20
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 142156628) is (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCN(CC)C(=O)C(C(C)C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3C2)CC1.

What is the InChIKey of (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is CRZHGJZLMWVBGN-MODKJIOJSA-N. The full InChI is InChI=1S/C33H45ClN4O3/c1-5-36(6-2)33(41)30(23(3)4)37-17-19-38(20-18-37)32(40)29(21-24-11-15-28(34)16-12-24)35-31(39)27-14-13-25-9-7-8-10-26(25)22-27/h7-12,15-16,23,27,29-30H,5-6,13-14,17-22H2,1-4H3,(H,35,39)/t27-,29-,30?/m1/s1.

What are the key properties of (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

(2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 581.20 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 142156628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).