N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide

C19H27F2NO2 — CID 20790257

IUPACN-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C19H27F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23)
InChIKeyBDACMQBRMZHOQK-UHFFFAOYSA-N
MW339.43 g/mol
LogP4.34
Rot. Bonds6

About N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide

N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide (PubChem CID 20790257) has the molecular formula C19H27F2NO2 and a molecular weight of 339.43 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide
PubChem CID20790257
Molecular FormulaC19H27F2NO2
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC NameN-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C19H27F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23)
InChIKeyBDACMQBRMZHOQK-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide (CID 20790257) is N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide is CC(C)(C)NC(=O)C(CC1CCCC1)OCc1cc(F)cc(F)c1.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
The InChIKey is BDACMQBRMZHOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2/c1-19(2,3)22-18(23)17(10-13-6-4-5-7-13)24-12-14-8-15(20)11-16(21)9-14/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,22,23).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide?
N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide has a molecular weight of 339.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide is sourced from PubChem (CID 20790257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).