N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide

C27H25N3O2 — CID 46944100

IUPACN-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C27H25N3O2/c1-27(26(32)29-23-12-7-10-21(18-23)19-28)16-17-30(27)25(31)24-13-6-5-11-22(24)15-14-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3,(H,29,32)
InChIKeyNDCKXXOPDFFABQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.59
Rot. Bonds6

About N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide

N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide (PubChem CID 46944100) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
PubChem CID46944100
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C27H25N3O2/c1-27(26(32)29-23-12-7-10-21(18-23)19-28)16-17-30(27)25(31)24-13-6-5-11-22(24)15-14-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3,(H,29,32)
InChIKeyNDCKXXOPDFFABQ-UHFFFAOYSA-N
XLogP4.59
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
CID 46948163
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
CID 46947893
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
2-(4-benzyl-4-fluoropiperidin-1-yl)-N-(3-cyanophenyl)-2-oxoacetamide
CID 174472871
N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
CID 46947985
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441349
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
1-N-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide (CID 46944100) is N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide is CC1(C(=O)Nc2cccc(C#N)c2)CCN1C(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide?
The InChIKey is NDCKXXOPDFFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-27(26(32)29-23-12-7-10-21(18-23)19-28)16-17-30(27)25(31)24-13-6-5-11-22(24)15-14-20-8-3-2-4-9-20/h2-13,18H,14-17H2,1H3,(H,29,32).
What are the key properties of N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide?
N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide is sourced from PubChem (CID 46944100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).