N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide

C25H33FN2O2 — CID 133214755

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C25H33FN2O2/c1-18(2)14-15-27-24(29)23(16-20-8-6-5-7-9-20)28(25(30)19(3)4)17-21-10-12-22(26)13-11-21/h5-13,18-19,23H,14-17H2,1-4H3,(H,27,29)
InChIKeyWZADDWCJUBJNNI-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.58
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide

N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide (PubChem CID 133214755) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
PubChem CID133214755
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C25H33FN2O2/c1-18(2)14-15-27-24(29)23(16-20-8-6-5-7-9-20)28(25(30)19(3)4)17-21-10-12-22(26)13-11-21/h5-13,18-19,23H,14-17H2,1-4H3,(H,27,29)
InChIKeyWZADDWCJUBJNNI-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133215138
N-[(4-chlorophenyl)methyl]-2-methyl-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214590
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]propanamide
CID 133215130
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171180
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
(2S)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100512500
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 133215029
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172875
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257260

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide (CID 133214755) is N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide is CC(C)CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
The InChIKey is WZADDWCJUBJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-18(2)14-15-27-24(29)23(16-20-8-6-5-7-9-20)28(25(30)19(3)4)17-21-10-12-22(26)13-11-21/h5-13,18-19,23H,14-17H2,1-4H3,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide?
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide has a molecular weight of 412.55 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 133214755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).