1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

C20H27N3O3 — CID 142386744

IUPAC1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
SMILESCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26)
InChIKeyHXOQWMFWPYPLKH-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.93
Rot. Bonds4

About 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide (PubChem CID 142386744) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
PubChem CID142386744
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
SMILESCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26)
InChIKeyHXOQWMFWPYPLKH-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide with MolForge

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Related Compounds

1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386743
2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine
CID 142386647
1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386662
1-(1-cyclohexylethylcarbamoyl)azepane-2-carboxylic acid
CID 64563711
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 174176847
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylic acid
CID 68602588

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide (CID 142386744) is 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide is CC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?
The InChIKey is HXOQWMFWPYPLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26).
What are the key properties of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?
1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide is sourced from PubChem (CID 142386744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).