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

C18H25F2NO2 — CID 20790188

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide
SMILESCC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H25F2NO2/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22)
InChIKeyPNXZXPPNYIFARM-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.81
Rot. Bonds6

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

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide (PubChem CID 20790188) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide
PubChem CID20790188
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide
SMILESCC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H25F2NO2/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22)
InChIKeyPNXZXPPNYIFARM-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide (CID 20790188) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide is CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide?
The InChIKey is PNXZXPPNYIFARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide has a molecular weight of 325.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 20790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).