N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide

C33H35N5O2 — CID 95352558

About N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide

N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide (PubChem CID 95352558) has the molecular formula C33H35N5O2 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide
• PubChem CID: 95352558
• Molecular Formula: C33H35N5O2
• Molecular Weight: 533.68 g/mol
• Exact Mass: 533.28
• IUPAC Name: N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide
• SMILES: C[C@H](NC(=O)CN(CCn1cccn1)CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
• InChI: InChI=1S/C33H35N5O2/c1-24(28-14-12-26-8-3-5-10-30(26)20-28)35-32(39)22-37(18-19-38-17-7-16-34-38)23-33(40)36-25(2)29-15-13-27-9-4-6-11-31(27)21-29/h3-17,20-21,24-25H,18-19,22-23H2,1-2H3,(H,35,39)(H,36,40)/t24-,25-/m0/s1
• InChIKey: XGGDJIMEWYGUKR-DQEYMECFSA-N
• XLogP: 5.25
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.68
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide?

The IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide (CID 95352558) is N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide.

What is the SMILES notation for N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide?

The canonical SMILES for N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide is C[C@H](NC(=O)CN(CCn1cccn1)CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1.

What is the InChIKey of N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide?

The InChIKey is XGGDJIMEWYGUKR-DQEYMECFSA-N. The full InChI is InChI=1S/C33H35N5O2/c1-24(28-14-12-26-8-3-5-10-30(26)20-28)35-32(39)22-37(18-19-38-17-7-16-34-38)23-33(40)36-25(2)29-15-13-27-9-4-6-11-31(27)21-29/h3-17,20-21,24-25H,18-19,22-23H2,1-2H3,(H,35,39)(H,36,40)/t24-,25-/m0/s1.

What are the key properties of N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide?

N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide has a molecular weight of 533.68 g/mol, XLogP of 5.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide is sourced from PubChem (CID 95352558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).