N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O2 — CID 63719753

IUPACN-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c1-18(7-10-3-2-6-20-8-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3
InChIKeyVDAURLSVQDFBTQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63719753) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63719753
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c1-18(7-10-3-2-6-20-8-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3
InChIKeyVDAURLSVQDFBTQ-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
3-ethyl-N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 63711654
N-[(4,4-difluorocyclohexyl)methyl]-N-methyl-4-(trifluoromethyl)piperidine-4-carboxamide
CID 176759241
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018
N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 55227214
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63719753) is N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(CC1CCCOC1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VDAURLSVQDFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-18(7-10-3-2-6-20-8-10)11(19)12(13(14,15)16)4-5-17-9-12/h10,17H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).