N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide

C15H20F2N2O2 — CID 66257909

IUPACN-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-18-14-9-21-8-11(14)15(20)19(2)7-10-4-5-12(16)13(17)6-10/h4-6,11,14,18H,3,7-9H2,1-2H3
InChIKeyXKYFTYSMQUJPMD-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.55
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide (PubChem CID 66257909) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
PubChem CID66257909
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-18-14-9-21-8-11(14)15(20)19(2)7-10-4-5-12(16)13(17)6-10/h4-6,11,14,18H,3,7-9H2,1-2H3
InChIKeyXKYFTYSMQUJPMD-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256505
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66260067
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide (CID 66257909) is N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The InChIKey is XKYFTYSMQUJPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-18-14-9-21-8-11(14)15(20)19(2)7-10-4-5-12(16)13(17)6-10/h4-6,11,14,18H,3,7-9H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66257909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).