N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide

C16H23F2NO3 — CID 118589381

IUPACN-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESCCOC(CN(Cc1ccc(F)cc1F)C(=O)CC)OCC
InChIInChI=1S/C16H23F2NO3/c1-4-15(20)19(11-16(21-5-2)22-6-3)10-12-7-8-13(17)9-14(12)18/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyKGHPIGOGQRTRNB-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.10
Rot. Bonds9

About N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide

N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide (PubChem CID 118589381) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide
PubChem CID118589381
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC NameN-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESCCOC(CN(Cc1ccc(F)cc1F)C(=O)CC)OCC
InChIInChI=1S/C16H23F2NO3/c1-4-15(20)19(11-16(21-5-2)22-6-3)10-12-7-8-13(17)9-14(12)18/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyKGHPIGOGQRTRNB-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The IUPAC name of N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide (CID 118589381) is N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide is CCOC(CN(Cc1ccc(F)cc1F)C(=O)CC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The InChIKey is KGHPIGOGQRTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-4-15(20)19(11-16(21-5-2)22-6-3)10-12-7-8-13(17)9-14(12)18/h7-9,16H,4-6,10-11H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide?
N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide has a molecular weight of 315.36 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N-[(2,4-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 118589381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).