N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide

C18H28N2O2 — CID 176931156

IUPACN-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCCC(C)C)c(C)c2)C1
InChIInChI=1S/C18H28N2O2/c1-13(2)7-8-22-17-6-5-15(9-14(17)3)10-20-11-16(12-20)18(21)19-4/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,19,21)
InChIKeyXABXKOMHIRREEG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.60
Rot. Bonds7

About N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide

N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176931156) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
PubChem CID176931156
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCCC(C)C)c(C)c2)C1
InChIInChI=1S/C18H28N2O2/c1-13(2)7-8-22-17-6-5-15(9-14(17)3)10-20-11-16(12-20)18(21)19-4/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,19,21)
InChIKeyXABXKOMHIRREEG-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930959
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930687
N-(2-hydroxyethyl)-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930169
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929848
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
1-[[4-[(3-chloro-5-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930134
1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930132
1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one
CID 176929990

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide (CID 176931156) is N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(OCCC(C)C)c(C)c2)C1.
What is the InChIKey of N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is XABXKOMHIRREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)7-8-22-17-6-5-15(9-14(17)3)10-20-11-16(12-20)18(21)19-4/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,19,21).
What are the key properties of N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide?
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176931156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).