N-[4-(oxan-4-ylamino)phenyl]propanamide

C14H20N2O2 — CID 43720580

IUPACN-[4-(oxan-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-14(17)16-12-5-3-11(4-6-12)15-13-7-9-18-10-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyNAYJJQMEXFHMRA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.63
Rot. Bonds4

About N-[4-(oxan-4-ylamino)phenyl]propanamide

N-[4-(oxan-4-ylamino)phenyl]propanamide (PubChem CID 43720580) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(oxan-4-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(oxan-4-ylamino)phenyl]propanamide
PubChem CID43720580
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(oxan-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-14(17)16-12-5-3-11(4-6-12)15-13-7-9-18-10-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyNAYJJQMEXFHMRA-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
CID 119873635
2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
CID 75381420
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol
CID 54866203
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-ylamino)phenyl]propanamide?
The IUPAC name of N-[4-(oxan-4-ylamino)phenyl]propanamide (CID 43720580) is N-[4-(oxan-4-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(oxan-4-ylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(oxan-4-ylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-[4-(oxan-4-ylamino)phenyl]propanamide?
The InChIKey is NAYJJQMEXFHMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-14(17)16-12-5-3-11(4-6-12)15-13-7-9-18-10-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(oxan-4-ylamino)phenyl]propanamide?
N-[4-(oxan-4-ylamino)phenyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-ylamino)phenyl]propanamide is sourced from PubChem (CID 43720580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).