2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide

C20H23FN2O4 — CID 24600784

IUPAC2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)COc1cc(C)ccc1C(N)=O
InChIInChI=1S/C20H23FN2O4/c1-4-23(11-14-6-8-17(26-3)16(21)10-14)19(24)12-27-18-9-13(2)5-7-15(18)20(22)25/h5-10H,4,11-12H2,1-3H3,(H2,22,25)
InChIKeyRBDOOPGIXFAAFW-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds8

About 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide

2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide (PubChem CID 24600784) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
PubChem CID24600784
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)COc1cc(C)ccc1C(N)=O
InChIInChI=1S/C20H23FN2O4/c1-4-23(11-14-6-8-17(26-3)16(21)10-14)19(24)12-27-18-9-13(2)5-7-15(18)20(22)25/h5-10H,4,11-12H2,1-3H3,(H2,22,25)
InChIKeyRBDOOPGIXFAAFW-UHFFFAOYSA-N
XLogP2.67
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
4-methoxy-2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 18143075
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290533

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide (CID 24600784) is 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)COc1cc(C)ccc1C(N)=O.
What is the InChIKey of 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide?
The InChIKey is RBDOOPGIXFAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-4-23(11-14-6-8-17(26-3)16(21)10-14)19(24)12-27-18-9-13(2)5-7-15(18)20(22)25/h5-10H,4,11-12H2,1-3H3,(H2,22,25).
What are the key properties of 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide?
2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide has a molecular weight of 374.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide is sourced from PubChem (CID 24600784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).