(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide

C25H27FN2O3 — CID 100688812

IUPAC(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C25H27FN2O3/c1-17(2)27-25(30)18(3)28(15-19-11-13-21(26)14-12-19)24(29)16-31-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,17-18H,15-16H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyUFWYOIFSNMVPAC-SFHVURJKSA-N
MW422.50 g/mol
LogP4.30
Rot. Bonds8

About (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100688812) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID100688812
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C25H27FN2O3/c1-17(2)27-25(30)18(3)28(15-19-11-13-21(26)14-12-19)24(29)16-31-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,17-18H,15-16H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyUFWYOIFSNMVPAC-SFHVURJKSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 132614384
(2R)-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100690759
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 100619382
(2S)-2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647222
(2R)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732305
(2S)-2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbutanamide
CID 100732293
2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132661240
(2S)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100690597
2-[[2-(3-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132662871
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719383
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide (CID 100688812) is (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is UFWYOIFSNMVPAC-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-17(2)27-25(30)18(3)28(15-19-11-13-21(26)14-12-19)24(29)16-31-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,17-18H,15-16H2,1-3H3,(H,27,30)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 422.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100688812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).