N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C19H27F3N2O2 — CID 176930616

IUPACN-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(C)CCOc1ccc(CN2CC(C(=O)N(C)CC(F)(F)F)C2)cc1
InChIInChI=1S/C19H27F3N2O2/c1-14(2)8-9-26-17-6-4-15(5-7-17)10-24-11-16(12-24)18(25)23(3)13-19(20,21)22/h4-7,14,16H,8-13H2,1-3H3
InChIKeyRWNRZPAHTDYDGT-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.56
Rot. Bonds8

About N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 176930616) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID176930616
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC NameN-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCC(C)CCOc1ccc(CN2CC(C(=O)N(C)CC(F)(F)F)C2)cc1
InChIInChI=1S/C19H27F3N2O2/c1-14(2)8-9-26-17-6-4-15(5-7-17)10-24-11-16(12-24)18(25)23(3)13-19(20,21)22/h4-7,14,16H,8-13H2,1-3H3
InChIKeyRWNRZPAHTDYDGT-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930608
1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930132
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methyl-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930845
N-(2-hydroxyethyl)-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930169
1-[[4-(5,5,5-trifluoropentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176929830
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930820
1-[[4-(3-methylbutoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036587
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930687
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 176930616) is N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is CC(C)CCOc1ccc(CN2CC(C(=O)N(C)CC(F)(F)F)C2)cc1.
What is the InChIKey of N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is RWNRZPAHTDYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-14(2)8-9-26-17-6-4-15(5-7-17)10-24-11-16(12-24)18(25)23(3)13-19(20,21)22/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 176930616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).