4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide

C14H18F2N2O2 — CID 115294826

IUPAC4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCc2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C14H18F2N2O2/c15-11-7-10(8-12(16)9-11)1-4-18-13(19)14(17)2-5-20-6-3-14/h7-9H,1-6,17H2,(H,18,19)
InChIKeyYYVGNDFZDNXLQQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide

4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 115294826) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide
PubChem CID115294826
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide
SMILESNC1(C(=O)NCCc2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C14H18F2N2O2/c15-11-7-10(8-12(16)9-11)1-4-18-13(19)14(17)2-5-20-6-3-14/h7-9H,1-6,17H2,(H,18,19)
InChIKeyYYVGNDFZDNXLQQ-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
2-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294978
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide (CID 115294826) is 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide is NC1(C(=O)NCCc2cc(F)cc(F)c2)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is YYVGNDFZDNXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-7-10(8-12(16)9-11)1-4-18-13(19)14(17)2-5-20-6-3-14/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide?
4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,5-difluorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115294826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).