1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide

C34H42ClN5O4 — CID 143299763

About 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide (PubChem CID 143299763) has the molecular formula C34H42ClN5O4 and a molecular weight of 620.19 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide
• PubChem CID: 143299763
• Molecular Formula: C34H42ClN5O4
• Molecular Weight: 620.19 g/mol
• Exact Mass: 619.29
• IUPAC Name: 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide
• SMILES: CCNC(=O)C(NC(=O)CNCC(Cc1ccccc1)NC(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1)C(C)C
• InChI: InChI=1S/C34H42ClN5O4/c1-4-37-34(44)31(23(2)3)40-30(41)22-36-21-29(19-25-9-6-5-7-10-25)39-33(43)27-12-8-11-26(20-27)32(42)38-18-17-24-13-15-28(35)16-14-24/h5-16,20,23,29,31,36H,4,17-19,21-22H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)
• InChIKey: OBBNZLBJJLJCQF-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 128.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.19
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide (CID 143299763) is 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide is CCNC(=O)C(NC(=O)CNCC(Cc1ccccc1)NC(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1)C(C)C.

What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide?

The InChIKey is OBBNZLBJJLJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClN5O4/c1-4-37-34(44)31(23(2)3)40-30(41)22-36-21-29(19-25-9-6-5-7-10-25)39-33(43)27-12-8-11-26(20-27)32(42)38-18-17-24-13-15-28(35)16-14-24/h5-16,20,23,29,31,36H,4,17-19,21-22H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41).

What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide?

1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 620.19 g/mol, XLogP of 3.52, 16 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-[1-[[2-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 143299763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).