4-amino-N-(oxan-3-yl)-4-phenylbutanamide

C15H22N2O2 — CID 63363689

IUPAC4-amino-N-(oxan-3-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)NC1CCCOC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)
InChIKeyPQPZXYHSEAEOCO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds5

About 4-amino-N-(oxan-3-yl)-4-phenylbutanamide

4-amino-N-(oxan-3-yl)-4-phenylbutanamide (PubChem CID 63363689) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-yl)-4-phenylbutanamide
PubChem CID63363689
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-(oxan-3-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)NC1CCCOC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)
InChIKeyPQPZXYHSEAEOCO-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
(2R)-2-amino-N-(oxolan-3-yl)-2-phenylacetamide
CID 80713127
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
4-amino-N-methyl-N-(oxolan-3-yl)-4-phenylbutanamide
CID 81489574
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide
CID 103308412

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-3-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(oxan-3-yl)-4-phenylbutanamide (CID 63363689) is 4-amino-N-(oxan-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(oxan-3-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(oxan-3-yl)-4-phenylbutanamide is NC(CCC(=O)NC1CCCOC1)c1ccccc1.
What is the InChIKey of 4-amino-N-(oxan-3-yl)-4-phenylbutanamide?
The InChIKey is PQPZXYHSEAEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18).
What are the key properties of 4-amino-N-(oxan-3-yl)-4-phenylbutanamide?
4-amino-N-(oxan-3-yl)-4-phenylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 63363689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).