3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide

C16H24N2O2 — CID 119731118

IUPAC3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-13(17)11-15(19)18-12-16(7-9-20-10-8-16)14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,19)
InChIKeyUXLXNOYJNOCOGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide

3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 119731118) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID119731118
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O2/c1-13(17)11-15(19)18-12-16(7-9-20-10-8-16)14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,19)
InChIKeyUXLXNOYJNOCOGJ-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111504888
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 119731118) is 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide is CC(N)CC(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is UXLXNOYJNOCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(17)11-15(19)18-12-16(7-9-20-10-8-16)14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide?
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 119731118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).