N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide

C19H39FN2O4 — CID 138727028

IUPACN-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C19H39FN2O4/c1-15(2)21-8-9-24-10-11-25-12-13-26-19(6,7)16(20)14-22-17(23)18(3,4)5/h15-16,21H,8-14H2,1-7H3,(H,22,23)
InChIKeyRKDFEAXWBMAWEL-UHFFFAOYSA-N
MW378.53 g/mol
LogP2.31
Rot. Bonds14

About N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide

N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (PubChem CID 138727028) has the molecular formula C19H39FN2O4 and a molecular weight of 378.53 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
PubChem CID138727028
Molecular FormulaC19H39FN2O4
Molecular Weight378.53 g/mol
Exact Mass378.29
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C19H39FN2O4/c1-15(2)21-8-9-24-10-11-25-12-13-26-19(6,7)16(20)14-22-17(23)18(3,4)5/h15-16,21H,8-14H2,1-7H3,(H,22,23)
InChIKeyRKDFEAXWBMAWEL-UHFFFAOYSA-N
XLogP2.31
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (CID 138727028) is N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide is CC(C)NCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The InChIKey is RKDFEAXWBMAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FN2O4/c1-15(2)21-8-9-24-10-11-25-12-13-26-19(6,7)16(20)14-22-17(23)18(3,4)5/h15-16,21H,8-14H2,1-7H3,(H,22,23).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide has a molecular weight of 378.53 g/mol, XLogP of 2.31, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 138727028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).