1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide

C19H20N2O2 — CID 136532080

IUPAC1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-20-18(22)16-12-21(13-16)19(23)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,20,22)
InChIKeyBVIMSAJLZSMURW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide

1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide (PubChem CID 136532080) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
PubChem CID136532080
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-20-18(22)16-12-21(13-16)19(23)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,20,22)
InChIKeyBVIMSAJLZSMURW-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
CID 136532070
4-(2,2-diphenylacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616396
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide (CID 136532080) is 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(C(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide?
The InChIKey is BVIMSAJLZSMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-18(22)16-12-21(13-16)19(23)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,20,22).
What are the key properties of 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide?
1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 136532080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).