N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide

C16H24N2O2 — CID 63010280

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)C2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,11-17)13-5-7-14(8-6-13)18-15(19)12-4-3-9-20-10-12/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyAEDRVXCTPNRWLV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds4

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide (PubChem CID 63010280) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
PubChem CID63010280
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)C2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,11-17)13-5-7-14(8-6-13)18-15(19)12-4-3-9-20-10-12/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyAEDRVXCTPNRWLV-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]oxane-3-carboxamide
CID 76982068
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide (CID 63010280) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide is CC(C)(CN)c1ccc(NC(=O)C2CCCOC2)cc1.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide?
The InChIKey is AEDRVXCTPNRWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,11-17)13-5-7-14(8-6-13)18-15(19)12-4-3-9-20-10-12/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 63010280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).