2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C20H25FN2O2 — CID 9133571

IUPAC2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(2)20(16-6-8-17(21)9-7-16)23-13-19(24)22-12-15-4-10-18(25-3)11-5-15/h4-11,14,20,23H,12-13H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyLXRPBWRRKVRTCK-FQEVSTJZSA-N
MW344.43 g/mol
LogP3.44
Rot. Bonds8

About 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 9133571) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID9133571
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(2)20(16-6-8-17(21)9-7-16)23-13-19(24)22-12-15-4-10-18(25-3)11-5-15/h4-11,14,20,23H,12-13H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyLXRPBWRRKVRTCK-FQEVSTJZSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide 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-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 52758428
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134121
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 9133571) is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is LXRPBWRRKVRTCK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)20(16-6-8-17(21)9-7-16)23-13-19(24)22-12-15-4-10-18(25-3)11-5-15/h4-11,14,20,23H,12-13H2,1-3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9133571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).