N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

C21H25FN2O3 — CID 78899690

IUPACN-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H25FN2O3/c1-26-20-7-3-2-5-16(20)13-24(14-19-6-4-12-27-19)15-21(25)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,23,25)
InChIKeySMZVNZNFZCKKQF-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.45
Rot. Bonds8

About N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 78899690) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID78899690
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H25FN2O3/c1-26-20-7-3-2-5-16(20)13-24(14-19-6-4-12-27-19)15-21(25)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,23,25)
InChIKeySMZVNZNFZCKKQF-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 78899688
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
N-(2-fluoro-5-methylphenyl)-2-[(2-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 124755387
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (CID 78899690) is N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is SMZVNZNFZCKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-26-20-7-3-2-5-16(20)13-24(14-19-6-4-12-27-19)15-21(25)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 78899690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).