N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide

C15H21FN2O2 — CID 63011144

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
SMILESNCCCN(C(=O)C1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-13-4-6-14(7-5-13)18(9-2-8-17)15(19)12-3-1-10-20-11-12/h4-7,12H,1-3,8-11,17H2
InChIKeyILGGMZWCAGCOQV-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds5

About N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide

N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide (PubChem CID 63011144) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
PubChem CID63011144
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
SMILESNCCCN(C(=O)C1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-13-4-6-14(7-5-13)18(9-2-8-17)15(19)12-3-1-10-20-11-12/h4-7,12H,1-3,8-11,17H2
InChIKeyILGGMZWCAGCOQV-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
CID 129468876
(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
CID 124841562
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide (CID 63011144) is N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide is NCCCN(C(=O)C1CCCOC1)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide?
The InChIKey is ILGGMZWCAGCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-4-6-14(7-5-13)18(9-2-8-17)15(19)12-3-1-10-20-11-12/h4-7,12H,1-3,8-11,17H2.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide is sourced from PubChem (CID 63011144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).