[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C24H29FN2O6 — CID 55373690

IUPAC[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C24H29FN2O6/c1-5-31-20-11-10-18(13-21(20)32-6-2)23(29)26-14-22(28)33-16(3)24(30)27(4)15-17-8-7-9-19(25)12-17/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29)
InChIKeySQFTWZNHFCESMA-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.94
Rot. Bonds11

About [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 55373690) has the molecular formula C24H29FN2O6 and a molecular weight of 460.50 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID55373690
Molecular FormulaC24H29FN2O6
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C24H29FN2O6/c1-5-31-20-11-10-18(13-21(20)32-6-2)23(29)26-14-22(28)33-16(3)24(30)27(4)15-17-8-7-9-19(25)12-17/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29)
InChIKeySQFTWZNHFCESMA-UHFFFAOYSA-N
XLogP2.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 43028197
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662888
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 55320574
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55373200
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-amino-4-ethylbenzoate
CID 95788331
N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 134046635
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55374090
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 55373690) is [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OCC.
What is the InChIKey of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is SQFTWZNHFCESMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O6/c1-5-31-20-11-10-18(13-21(20)32-6-2)23(29)26-14-22(28)33-16(3)24(30)27(4)15-17-8-7-9-19(25)12-17/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29).
What are the key properties of [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 460.50 g/mol, XLogP of 2.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55373690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).