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

C22H27FN2O3 — CID 60501069

IUPACN-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)NCc1ccccc1F)CC1CCCO1
InChIInChI=1S/C22H27FN2O3/c1-27-21-11-5-3-8-18(21)14-25(15-19-9-6-12-28-19)16-22(26)24-13-17-7-2-4-10-20(17)23/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,24,26)
InChIKeyTZGZIUGEWNDXGQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.13
Rot. Bonds9

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

N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 60501069) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID60501069
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)NCc1ccccc1F)CC1CCCO1
InChIInChI=1S/C22H27FN2O3/c1-27-21-11-5-3-8-18(21)14-25(15-19-9-6-12-28-19)16-22(26)24-13-17-7-2-4-10-20(17)23/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,24,26)
InChIKeyTZGZIUGEWNDXGQ-UHFFFAOYSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 78899690
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55832698
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (CID 60501069) is N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)NCc1ccccc1F)CC1CCCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is TZGZIUGEWNDXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-27-21-11-5-3-8-18(21)14-25(15-19-9-6-12-28-19)16-22(26)24-13-17-7-2-4-10-20(17)23/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,24,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 60501069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).