N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide

C22H24N4O2 — CID 122590479

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CC(OCc3ccccc3)(c3ccccc3)C2)C1
InChIInChI=1S/C22H24N4O2/c23-17-25-12-11-20(13-25)24-21(27)26-15-22(16-26,19-9-5-2-6-10-19)28-14-18-7-3-1-4-8-18/h1-10,20H,11-16H2,(H,24,27)/t20-/m1/s1
InChIKeySQQNGJLARPPQHI-HXUWFJFHSA-N
MW376.46 g/mol
LogP2.68
Rot. Bonds5

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide (PubChem CID 122590479) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide
PubChem CID122590479
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CC(OCc3ccccc3)(c3ccccc3)C2)C1
InChIInChI=1S/C22H24N4O2/c23-17-25-12-11-20(13-25)24-21(27)26-15-22(16-26,19-9-5-2-6-10-19)28-14-18-7-3-1-4-8-18/h1-10,20H,11-16H2,(H,24,27)/t20-/m1/s1
InChIKeySQQNGJLARPPQHI-HXUWFJFHSA-N
XLogP2.68
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

US10343992, Example 188
CID 122590681
US10343992, Example 264
CID 134363661
US10343992, Example 136
CID 134363677
N-[(R)-2-[3-butoxy-3-(4-fluorophenyl)azetidin-1-yl]-1-(3-fluorobenzyl)-2-oxoethyl]-3-(1H-imidazol-4-yl)propionamide
CID 138403857
N-[(R)-2-[3-butoxy-3-(4-fluorophenyl)azetidin-1-yl]-1-(4-fluorobenzyl)-2-oxoethyl]-3-(1H-imidazol-4-yl)propionamide
CID 138403858
N-[(R)-2-(3-butoxy-3-phenylazetidin-1-yl)-1-(4-fluorobenzyl)-2-oxoethyl]-3-(1H-imidazol-4-yl)propionamide
CID 138403859
N-[(R)-2-(3-butoxy-3-phenylazetidin-1-yl)-1-cyclohexylmethyl-2-oxoethyl]-3-(1H-imidazol-4-yl)propionamide
CID 138403849
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)imidazolidin-2-one
CID 168300047
1-[(2R)-2-phenylmorpholine-4-carbonyl]imidazolidin-2-one
CID 97427316
1-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3-(1-ethyl-4-methylpyrrolidin-3-yl)urea
CID 132319571
(3S)-N-(2-phenylethyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638945
3-[2-(trifluoromethyl)benzhydryloxy]-N-(cyclohexyl)azetidine-1-carboxamide
CID 11453265

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide (CID 122590479) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide is N#CN1CC[C@@H](NC(=O)N2CC(OCc3ccccc3)(c3ccccc3)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide?
The InChIKey is SQQNGJLARPPQHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-17-25-12-11-20(13-25)24-21(27)26-15-22(16-26,19-9-5-2-6-10-19)28-14-18-7-3-1-4-8-18/h1-10,20H,11-16H2,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenyl-3-phenylmethoxyazetidine-1-carboxamide is sourced from PubChem (CID 122590479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).