2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

C41H44N6O4 — CID 59081958

IUPAC2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N1CCNCC1)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C41H44N6O4/c42-24-38(48)45(25-31-8-2-1-3-9-31)29-40(50)47(27-33-15-17-35-11-5-7-13-37(35)23-33)30-41(51)46(28-39(49)44-20-18-43-19-21-44)26-32-14-16-34-10-4-6-12-36(34)22-32/h1-17,22-23,43H,18-21,24-30,42H2
InChIKeyGNPYKABGEFCYIJ-UHFFFAOYSA-N
MW684.84 g/mol
LogP3.77
Rot. Bonds13

About 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (PubChem CID 59081958) has the molecular formula C41H44N6O4 and a molecular weight of 684.84 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
PubChem CID59081958
Molecular FormulaC41H44N6O4
Molecular Weight684.84 g/mol
Exact Mass684.34
IUPAC Name2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N1CCNCC1)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C41H44N6O4/c42-24-38(48)45(25-31-8-2-1-3-9-31)29-40(50)47(27-33-15-17-35-11-5-7-13-37(35)23-33)30-41(51)46(28-39(49)44-20-18-43-19-21-44)26-32-14-16-34-10-4-6-12-36(34)22-32/h1-17,22-23,43H,18-21,24-30,42H2
InChIKeyGNPYKABGEFCYIJ-UHFFFAOYSA-N
XLogP3.77
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500684.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (CID 59081958) is 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N1CCNCC1)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is GNPYKABGEFCYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N6O4/c42-24-38(48)45(25-31-8-2-1-3-9-31)29-40(50)47(27-33-15-17-35-11-5-7-13-37(35)23-33)30-41(51)46(28-39(49)44-20-18-43-19-21-44)26-32-14-16-34-10-4-6-12-36(34)22-32/h1-17,22-23,43H,18-21,24-30,42H2.
What are the key properties of 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 684.84 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-[2-[naphthalen-2-ylmethyl-[2-[naphthalen-2-ylmethyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 59081958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).