N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide

C14H18F2N2O3 — CID 66257880

IUPACN-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-2-17-11-8-20-7-9(11)13(19)18-10-5-3-4-6-12(10)21-14(15)16/h3-6,9,11,14,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyKTGMSOUFODFLDX-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide

N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66257880) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66257880
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-2-17-11-8-20-7-9(11)13(19)18-10-5-3-4-6-12(10)21-14(15)16/h3-6,9,11,14,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyKTGMSOUFODFLDX-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
4-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)oxolane-3-carboxamide
CID 66258519
N-(2,4-dimethoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259800
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
4-(ethylamino)-N-(2-hydroxy-2-phenylethyl)oxolane-3-carboxamide
CID 66257495
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide (CID 66257880) is N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is KTGMSOUFODFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-2-17-11-8-20-7-9(11)13(19)18-10-5-3-4-6-12(10)21-14(15)16/h3-6,9,11,14,17H,2,7-8H2,1H3,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide?
N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66257880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).