(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide

C18H20F2N2O2 — CID 7995629

IUPAC(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-13(17(23)21-15-6-4-3-5-7-15)22(2)12-14-8-10-16(11-9-14)24-18(19)20/h3-11,13,18H,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyGNJNXEGRCOFDPK-ZDUSSCGKSA-N
MW334.37 g/mol
LogP3.75
Rot. Bonds7

About (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide

(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide (PubChem CID 7995629) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
PubChem CID7995629
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-13(17(23)21-15-6-4-3-5-7-15)22(2)12-14-8-10-16(11-9-14)24-18(19)20/h3-11,13,18H,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyGNJNXEGRCOFDPK-ZDUSSCGKSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide 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-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
CID 86865419
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide (CID 7995629) is (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide?
The InChIKey is GNJNXEGRCOFDPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-13(17(23)21-15-6-4-3-5-7-15)22(2)12-14-8-10-16(11-9-14)24-18(19)20/h3-11,13,18H,12H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide?
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide has a molecular weight of 334.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 7995629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).