ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate

C15H20F2N2O4 — CID 46446447

IUPACethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4/c1-2-22-15(21)19-10-8-13(20)18-9-7-11-3-5-12(6-4-11)23-14(16)17/h3-6,14H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZYEMMCQNHWXFIX-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.08
Rot. Bonds9

About ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate

ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate (PubChem CID 46446447) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
PubChem CID46446447
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Nameethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4/c1-2-22-15(21)19-10-8-13(20)18-9-7-11-3-5-12(6-4-11)23-14(16)17/h3-6,14H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZYEMMCQNHWXFIX-UHFFFAOYSA-N
XLogP2.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792471
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
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
(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
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 55397617
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate (CID 46446447) is ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate?
The InChIKey is ZYEMMCQNHWXFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-2-22-15(21)19-10-8-13(20)18-9-7-11-3-5-12(6-4-11)23-14(16)17/h3-6,14H,2,7-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate?
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate has a molecular weight of 330.33 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 46446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).