2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide

C21H26F2N2O2 — CID 112814957

IUPAC2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H26F2N2O2/c1-13-7-5-6-8-19(13)15(3)25-20(26)16(4)24-14(2)17-9-11-18(12-10-17)27-21(22)23/h5-12,14-16,21,24H,1-4H3,(H,25,26)
InChIKeyAUYSYWSHEICSMB-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.51
Rot. Bonds8

About 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide

2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 112814957) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID112814957
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H26F2N2O2/c1-13-7-5-6-8-19(13)15(3)25-20(26)16(4)24-14(2)17-9-11-18(12-10-17)27-21(22)23/h5-12,14-16,21,24H,1-4H3,(H,25,26)
InChIKeyAUYSYWSHEICSMB-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762317
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 112814962
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
CID 8830559
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide (CID 112814957) is 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(C)NC(=O)C(C)NC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is AUYSYWSHEICSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-13-7-5-6-8-19(13)15(3)25-20(26)16(4)24-14(2)17-9-11-18(12-10-17)27-21(22)23/h5-12,14-16,21,24H,1-4H3,(H,25,26).
What are the key properties of 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide?
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 376.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 112814957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).