N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide

C40H43N5O3 — CID 11215879

About N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide

N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide (PubChem CID 11215879) has the molecular formula C40H43N5O3 and a molecular weight of 641.82 g/mol. Its IUPAC name is N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide
• PubChem CID: 11215879
• Molecular Formula: C40H43N5O3
• Molecular Weight: 641.82 g/mol
• Exact Mass: 641.34
• IUPAC Name: N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide
• SMILES: C[C@H](Cc1cccc(CC(=O)NCc2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)c1)NC[C@H](O)c1ccc(N)nc1
• InChI: InChI=1S/C40H43N5O3/c1-28(42-27-36(46)35-19-20-37(41)43-26-35)21-31-9-8-10-32(22-31)23-38(47)44-24-29-15-17-30(18-16-29)25-45-40(48)39(33-11-4-2-5-12-33)34-13-6-3-7-14-34/h2-20,22,26,28,36,39,42,46H,21,23-25,27H2,1H3,(H2,41,43)(H,44,47)(H,45,48)/t28-,36+/m1/s1
• InChIKey: UEHPFFIUXLDNKR-OCKRADGESA-N
• XLogP: 5.23
• TPSA: 129.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.82
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide?

The IUPAC name of N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide (CID 11215879) is N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide?

The canonical SMILES for N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide is C[C@H](Cc1cccc(CC(=O)NCc2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)c1)NC[C@H](O)c1ccc(N)nc1.

What is the InChIKey of N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide?

The InChIKey is UEHPFFIUXLDNKR-OCKRADGESA-N. The full InChI is InChI=1S/C40H43N5O3/c1-28(42-27-36(46)35-19-20-37(41)43-26-35)21-31-9-8-10-32(22-31)23-38(47)44-24-29-15-17-30(18-16-29)25-45-40(48)39(33-11-4-2-5-12-33)34-13-6-3-7-14-34/h2-20,22,26,28,36,39,42,46H,21,23-25,27H2,1H3,(H2,41,43)(H,44,47)(H,45,48)/t28-,36+/m1/s1.

What are the key properties of N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide?

N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide has a molecular weight of 641.82 g/mol, XLogP of 5.23, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[[2-[3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]acetyl]amino]methyl]phenyl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 11215879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).