(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one

C30H42N4O2 — CID 177447150

IUPAC(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one
SMILESCN1CCCN(CCCCN2CCCN(C)[C@@H](c3ccccc3)CC2=O)C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m1/s1
InChIKeyLNCIXDIFZNXBDP-VSGBNLITSA-N
MW490.69 g/mol
LogP4.36
Rot. Bonds7

About (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one

(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one (PubChem CID 177447150) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one.

Molecular Properties

Compound Name(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one
PubChem CID177447150
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC Name(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one
SMILESCN1CCCN(CCCCN2CCCN(C)[C@@H](c3ccccc3)CC2=O)C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m1/s1
InChIKeyLNCIXDIFZNXBDP-VSGBNLITSA-N
XLogP4.36
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-1-(hydroxymethyl)-5-methyl-4-phenyl-1,5-diazocan-2-one
CID 71489142
(4S)-4-[(2S)-2-hydroxyheptyl]-5-methyl-1-[4-[(4S)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-1,5-diazocan-2-one
CID 71514870
1-methyl-2-phenylazepane
CID 23447707
1-methyl-2-phenylazetidine
CID 576373
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
8-acetyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 131898592
4-methyl-3-phenyl-1,4-oxazepane
CID 144722829
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
1-ethyl-4-phenyl-1,5-diazocan-2-one
CID 13048239
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
CID 746436
dimethyl-[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]propyl]azanium
CID 6936015
1-methyl-8-phenyl-1,4-diazocan-5-one
CID 86192713

Frequently Asked Questions

What is the IUPAC name of (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one?
The IUPAC name of (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one (CID 177447150) is (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one.
What is the SMILES notation for (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one?
The canonical SMILES for (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one is CN1CCCN(CCCCN2CCCN(C)[C@@H](c3ccccc3)CC2=O)C(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one?
The InChIKey is LNCIXDIFZNXBDP-VSGBNLITSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m1/s1.
What are the key properties of (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one?
(4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one has a molecular weight of 490.69 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methyl-1-[4-[(4R)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one is sourced from PubChem (CID 177447150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).