(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide

C19H22F2N2O3 — CID 119285861

IUPAC(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1OC(F)F
InChIInChI=1S/C19H22F2N2O3/c1-23(18(24)15(22)10-13-6-4-3-5-7-13)12-14-8-9-16(25-2)17(11-14)26-19(20)21/h3-9,11,15,19H,10,12,22H2,1-2H3/t15-/m0/s1
InChIKeyKSBCSGQYTDMAEV-HNNXBMFYSA-N
MW364.39 g/mol
LogP2.83
Rot. Bonds8

About (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide (PubChem CID 119285861) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
PubChem CID119285861
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1OC(F)F
InChIInChI=1S/C19H22F2N2O3/c1-23(18(24)15(22)10-13-6-4-3-5-7-13)12-14-8-9-16(25-2)17(11-14)26-19(20)21/h3-9,11,15,19H,10,12,22H2,1-2H3/t15-/m0/s1
InChIKeyKSBCSGQYTDMAEV-HNNXBMFYSA-N
XLogP2.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-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

(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55619064
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 38326031
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide (CID 119285861) is (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide is COc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)cc1OC(F)F.
What is the InChIKey of (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is KSBCSGQYTDMAEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-23(18(24)15(22)10-13-6-4-3-5-7-13)12-14-8-9-16(25-2)17(11-14)26-19(20)21/h3-9,11,15,19H,10,12,22H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 364.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119285861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).