(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide

C17H30F2N2O4 — CID 59075106

IUPAC(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide
SMILESCC[C@@H](C(=O)N(CCOC)CCOC)N1C[C@H](CC(C)(F)F)CC1=O
InChIInChI=1S/C17H30F2N2O4/c1-5-14(16(23)20(6-8-24-3)7-9-25-4)21-12-13(10-15(21)22)11-17(2,18)19/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyIRZYNYOMSMZFBA-KBPBESRZSA-N
MW364.43 g/mol
LogP1.78
Rot. Bonds11

About (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide

(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide (PubChem CID 59075106) has the molecular formula C17H30F2N2O4 and a molecular weight of 364.43 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide
PubChem CID59075106
Molecular FormulaC17H30F2N2O4
Molecular Weight364.43 g/mol
Exact Mass364.22
IUPAC Name(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide
SMILESCC[C@@H](C(=O)N(CCOC)CCOC)N1C[C@H](CC(C)(F)F)CC1=O
InChIInChI=1S/C17H30F2N2O4/c1-5-14(16(23)20(6-8-24-3)7-9-25-4)21-12-13(10-15(21)22)11-17(2,18)19/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyIRZYNYOMSMZFBA-KBPBESRZSA-N
XLogP1.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide?
The IUPAC name of (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide (CID 59075106) is (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide.
What is the SMILES notation for (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide?
The canonical SMILES for (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide is CC[C@@H](C(=O)N(CCOC)CCOC)N1C[C@H](CC(C)(F)F)CC1=O.
What is the InChIKey of (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide?
The InChIKey is IRZYNYOMSMZFBA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30F2N2O4/c1-5-14(16(23)20(6-8-24-3)7-9-25-4)21-12-13(10-15(21)22)11-17(2,18)19/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide?
(2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide has a molecular weight of 364.43 g/mol, XLogP of 1.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]-N,N-bis(2-methoxyethyl)butanamide is sourced from PubChem (CID 59075106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).