N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide

C23H24N4O2 — CID 174203032

IUPACN-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide
SMILESCC(C)OC1(C(=O)NC(C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)CNC1
InChIInChI=1S/C23H24N4O2/c1-16(2)29-23(14-26-15-23)22(28)27-21(13-25)11-17-3-7-19(8-4-17)20-9-5-18(12-24)6-10-20/h3-10,16,21,26H,11,14-15H2,1-2H3,(H,27,28)
InChIKeyLEENUYAUXLTYJN-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.54
Rot. Bonds7

About N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide

N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide (PubChem CID 174203032) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide
PubChem CID174203032
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide
SMILESCC(C)OC1(C(=O)NC(C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)CNC1
InChIInChI=1S/C23H24N4O2/c1-16(2)29-23(14-26-15-23)22(28)27-21(13-25)11-17-3-7-19(8-4-17)20-9-5-18(12-24)6-10-20/h3-10,16,21,26H,11,14-15H2,1-2H3,(H,27,28)
InChIKeyLEENUYAUXLTYJN-UHFFFAOYSA-N
XLogP2.54
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-phenoxyazetidine-3-carboxamide
CID 170711291
N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-methoxy-1-(2-methylpropyl)azetidine-3-carboxamide
CID 174203756
N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-(difluoromethyl)-1-methylazetidine-3-carboxamide
CID 170711310
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155561515
(2R)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
CID 118253818
(2S)-2-tert-butyl-N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]oxane-4-carboxamide
CID 151989928
(2S)-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]azetidine-2-carboxamide
CID 42641781
(3S,8aS)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 164621930
1-amino-N-[1-cyano-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 77466524
1-amino-N-[1-cyano-2-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]ethyl]cyclopropane-1-carboxamide
CID 123707798
1-amino-N-[1-cyano-2-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]ethyl]-3,3-difluorocyclobutane-1-carboxamide
CID 88924712
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide?
The IUPAC name of N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide (CID 174203032) is N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide.
What is the SMILES notation for N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide?
The canonical SMILES for N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide is CC(C)OC1(C(=O)NC(C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)CNC1.
What is the InChIKey of N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide?
The InChIKey is LEENUYAUXLTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)29-23(14-26-15-23)22(28)27-21(13-25)11-17-3-7-19(8-4-17)20-9-5-18(12-24)6-10-20/h3-10,16,21,26H,11,14-15H2,1-2H3,(H,27,28).
What are the key properties of N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide?
N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-3-propan-2-yloxyazetidine-3-carboxamide is sourced from PubChem (CID 174203032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).