ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate

C18H25F2N3O5 — CID 8792471

IUPACethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H25F2N3O5/c1-3-23(12-16(25)22-18(26)27-4-2)11-15(24)21-10-9-13-5-7-14(8-6-13)28-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyYBGQHHCVCYIASS-UHFFFAOYSA-N
MW401.41 g/mol
LogP1.54
Rot. Bonds11

About ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8792471) has the molecular formula C18H25F2N3O5 and a molecular weight of 401.41 g/mol. Its IUPAC name is ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8792471
Molecular FormulaC18H25F2N3O5
Molecular Weight401.41 g/mol
Exact Mass401.18
IUPAC Nameethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H25F2N3O5/c1-3-23(12-16(25)22-18(26)27-4-2)11-15(24)21-10-9-13-5-7-14(8-6-13)28-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyYBGQHHCVCYIASS-UHFFFAOYSA-N
XLogP1.54
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate with MolForge

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Related Compounds

ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
4-O-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015453
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
ethyl N-[2-[[4-(difluoromethoxy)phenyl]carbamothioyl-ethylamino]acetyl]carbamate
CID 8680331
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525094
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8792471) is ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is YBGQHHCVCYIASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O5/c1-3-23(12-16(25)22-18(26)27-4-2)11-15(24)21-10-9-13-5-7-14(8-6-13)28-17(19)20/h5-8,17H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,25,26).
What are the key properties of ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 401.41 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8792471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).