N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide

C30H28N2O2Se2 — CID 10531743

IUPACN-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2Se2/c1-21(23-13-5-3-6-14-23)31-29(33)25-17-9-11-19-27(25)35-36-28-20-12-10-18-26(28)30(34)32-22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1
InChIKeyWONOGQIZNYFIQN-VXKWHMMOSA-N
MW606.49 g/mol
LogP3.94
Rot. Bonds9

About N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide

N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide (PubChem CID 10531743) has the molecular formula C30H28N2O2Se2 and a molecular weight of 606.49 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
PubChem CID10531743
Molecular FormulaC30H28N2O2Se2
Molecular Weight606.49 g/mol
Exact Mass608.05
IUPAC NameN-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2Se2/c1-21(23-13-5-3-6-14-23)31-29(33)25-17-9-11-19-27(25)35-36-28-20-12-10-18-26(28)30(34)32-22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1
InChIKeyWONOGQIZNYFIQN-VXKWHMMOSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide (CID 10531743) is N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide is C[C@H](NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide?
The InChIKey is WONOGQIZNYFIQN-VXKWHMMOSA-N. The full InChI is InChI=1S/C30H28N2O2Se2/c1-21(23-13-5-3-6-14-23)31-29(33)25-17-9-11-19-27(25)35-36-28-20-12-10-18-26(28)30(34)32-22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide?
N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide has a molecular weight of 606.49 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]diselanyl]benzamide is sourced from PubChem (CID 10531743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).