N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide

C13H18N2O2 — CID 130941448

IUPACN-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
SMILESCOC1(C)CN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-13(17-2)9-15(10-13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16)
InChIKeyHXTBSGCMDVPADR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds3

About N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide

N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide (PubChem CID 130941448) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
PubChem CID130941448
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
SMILESCOC1(C)CN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-13(17-2)9-15(10-13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16)
InChIKeyHXTBSGCMDVPADR-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
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CID 97472653
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
2-[1-[(3-chlorophenyl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658865
3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
CID 122017931
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzylazonane-1-carboxamide
CID 130689649
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658501
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide (CID 130941448) is N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide is COC1(C)CN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide?
The InChIKey is HXTBSGCMDVPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(17-2)9-15(10-13)12(16)14-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide?
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 130941448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).