3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid

C15H20F2N2O4 — CID 119911233

IUPAC3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4/c1-19(9-7-14(21)22)10-13(20)18-8-6-11-2-4-12(5-3-11)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyDHDLTNZGXJSYST-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.35
Rot. Bonds10

About 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid

3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 119911233) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID119911233
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4/c1-19(9-7-14(21)22)10-13(20)18-8-6-11-2-4-12(5-3-11)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyDHDLTNZGXJSYST-UHFFFAOYSA-N
XLogP1.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8847181
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525094
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792471

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid (CID 119911233) is 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid is CN(CCC(=O)O)CC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is DHDLTNZGXJSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-19(9-7-14(21)22)10-13(20)18-8-6-11-2-4-12(5-3-11)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 330.33 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 119911233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).