2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide

C18H26FN3O5 — CID 169127370

IUPAC2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide
SMILESCOc1cccc(F)c1CNC(=O)C(C)(CO)N(CC(=O)N(C)C)C(C)=O
InChIInChI=1S/C18H26FN3O5/c1-12(24)22(10-16(25)21(3)4)18(2,11-23)17(26)20-9-13-14(19)7-6-8-15(13)27-5/h6-8,23H,9-11H2,1-5H3,(H,20,26)
InChIKeyLNALFTQEIFKSEM-UHFFFAOYSA-N
MW383.42 g/mol
LogP0.14
Rot. Bonds8

About 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide

2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide (PubChem CID 169127370) has the molecular formula C18H26FN3O5 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide
PubChem CID169127370
Molecular FormulaC18H26FN3O5
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide
SMILESCOc1cccc(F)c1CNC(=O)C(C)(CO)N(CC(=O)N(C)C)C(C)=O
InChIInChI=1S/C18H26FN3O5/c1-12(24)22(10-16(25)21(3)4)18(2,11-23)17(26)20-9-13-14(19)7-6-8-15(13)27-5/h6-8,23H,9-11H2,1-5H3,(H,20,26)
InChIKeyLNALFTQEIFKSEM-UHFFFAOYSA-N
XLogP0.14
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide with MolForge

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Related Compounds

methyl 2-[[1-[(2-fluoro-6-methoxyphenyl)methylamino]-3-methoxy-2-methyl-1-oxopropan-2-yl]amino]acetate
CID 169127381
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
1-[(2-fluoro-6-methoxyphenyl)methyl]-3-(2-nitrosoethyl)thiourea
CID 87094339
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide (CID 169127370) is 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide is COc1cccc(F)c1CNC(=O)C(C)(CO)N(CC(=O)N(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide?
The InChIKey is LNALFTQEIFKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O5/c1-12(24)22(10-16(25)21(3)4)18(2,11-23)17(26)20-9-13-14(19)7-6-8-15(13)27-5/h6-8,23H,9-11H2,1-5H3,(H,20,26).
What are the key properties of 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide?
2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 383.42 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 169127370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).