2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide

C24H31FN2O4 — CID 25017722

IUPAC2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CCOC1
InChIInChI=1S/C24H31FN2O4/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19/h3-7,12-13,20H,8-11,14-17H2,1-2H3,(H,26,28)
InChIKeySDNXCGUYOQGANK-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.04
Rot. Bonds11

About 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide (PubChem CID 25017722) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
PubChem CID25017722
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CCOC1
InChIInChI=1S/C24H31FN2O4/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19/h3-7,12-13,20H,8-11,14-17H2,1-2H3,(H,26,28)
InChIKeySDNXCGUYOQGANK-UHFFFAOYSA-N
XLogP3.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
CID 142758285
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591709
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502414
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride
CID 66591385
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
3-ethyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386309
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
CID 161071663
CID 161071663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide?
The IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide (CID 25017722) is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide is CNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)CC1CCOC1.
What is the InChIKey of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide?
The InChIKey is SDNXCGUYOQGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-26-24(28)15-27(14-20-9-11-30-16-20)10-8-18-6-7-22(23(13-18)29-2)31-17-19-4-3-5-21(25)12-19/h3-7,12-13,20H,8-11,14-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide?
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide has a molecular weight of 430.52 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide is sourced from PubChem (CID 25017722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).