4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide

C16H24N2O3 — CID 115294807

IUPAC4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-12(2)21-14-6-4-5-13(11-14)18-15(19)16(17)7-9-20-10-8-16/h4-6,11-12H,3,7-10,17H2,1-2H3,(H,18,19)
InChIKeyQJVLWQSXCRYHGL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide

4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide (PubChem CID 115294807) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
PubChem CID115294807
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-12(2)21-14-6-4-5-13(11-14)18-15(19)16(17)7-9-20-10-8-16/h4-6,11-12H,3,7-10,17H2,1-2H3,(H,18,19)
InChIKeyQJVLWQSXCRYHGL-UHFFFAOYSA-N
XLogP2.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
CID 115293964
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
N-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
CID 133187943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide (CID 115294807) is 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide is CCC(C)Oc1cccc(NC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide?
The InChIKey is QJVLWQSXCRYHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-12(2)21-14-6-4-5-13(11-14)18-15(19)16(17)7-9-20-10-8-16/h4-6,11-12H,3,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide?
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).