N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide

C21H32N2O2 — CID 46948481

IUPACN-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCC2(C)C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-15(2)17-9-7-16(8-10-17)13-18(24)23-12-11-21(23,6)19(25)22-14-20(3,4)5/h7-10,15H,11-14H2,1-6H3,(H,22,25)
InChIKeyWMRVJUUXUIEJLV-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.51
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide

N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide (PubChem CID 46948481) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
PubChem CID46948481
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCC2(C)C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-15(2)17-9-7-16(8-10-17)13-18(24)23-12-11-21(23,6)19(25)22-14-20(3,4)5/h7-10,15H,11-14H2,1-6H3,(H,22,25)
InChIKeyWMRVJUUXUIEJLV-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 79051555
1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
CID 155958808
1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
CID 70558650
1-[2-(2,4-dichlorophenyl)acetyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide
CID 70558670
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate
CID 58129383
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 94288730
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide (CID 46948481) is N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide is CC(C)c1ccc(CC(=O)N2CCC2(C)C(=O)NCC(C)(C)C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
The InChIKey is WMRVJUUXUIEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15(2)17-9-7-16(8-10-17)13-18(24)23-12-11-21(23,6)19(25)22-14-20(3,4)5/h7-10,15H,11-14H2,1-6H3,(H,22,25).
What are the key properties of N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide?
N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide is sourced from PubChem (CID 46948481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).