N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide

C23H24F2N2O2 — CID 8695568

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H24F2N2O2/c1-16(20-8-4-6-18-5-2-3-7-21(18)20)27-15-22(28)26-14-13-17-9-11-19(12-10-17)29-23(24)25/h2-12,16,23,27H,13-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyUWDDEVIQBDHOCF-MRXNPFEDSA-N
MW398.45 g/mol
LogP4.45
Rot. Bonds9

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 8695568) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID8695568
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H24F2N2O2/c1-16(20-8-4-6-18-5-2-3-7-21(18)20)27-15-22(28)26-14-13-17-9-11-19(12-10-17)29-23(24)25/h2-12,16,23,27H,13-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyUWDDEVIQBDHOCF-MRXNPFEDSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695450
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 17412889

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide (CID 8695568) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is UWDDEVIQBDHOCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-16(20-8-4-6-18-5-2-3-7-21(18)20)27-15-22(28)26-14-13-17-9-11-19(12-10-17)29-23(24)25/h2-12,16,23,27H,13-15H2,1H3,(H,26,28)/t16-/m1/s1.
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 398.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 8695568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).