N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H20F3N3O — CID 82945350

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H20F3N3O/c1-8(6-17(2)3)16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18)
InChIKeyYNEKBRUPOJNYOS-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 82945350) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID82945350
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H20F3N3O/c1-8(6-17(2)3)16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18)
InChIKeyYNEKBRUPOJNYOS-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105417276
(2S)-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanedioic acid
CID 63710248
N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81352100

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 82945350) is N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(CN(C)C)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YNEKBRUPOJNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-8(6-17(2)3)16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 82945350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).