3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide

C15H20N2O3 — CID 62066716

IUPAC3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(18)8-10-20-13-6-4-12(5-7-13)17-11-14-3-1-2-9-19-14/h2,4-7,9,14,17H,1,3,8,10-11H2,(H2,16,18)
InChIKeyCDBOTDVEUABDNK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds7

About 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide

3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide (PubChem CID 62066716) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
PubChem CID62066716
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H20N2O3/c16-15(18)8-10-20-13-6-4-12(5-7-13)17-11-14-3-1-2-9-19-14/h2,4-7,9,14,17H,1,3,8,10-11H2,(H2,16,18)
InChIKeyCDBOTDVEUABDNK-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline
CID 55030880
3-[4-(cyclohexylmethylamino)phenoxy]propanamide
CID 43676559
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
propan-2-yl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoate
CID 62064207
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-nitroaniline
CID 62064727
2-chloro-5-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoic acid
CID 62065988
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 62064398
N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
CID 66350323
3,4-dichloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 62064185
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-dimethoxyaniline
CID 62066694
(2S,5R)-5-(aminomethyl)-N-[4-(3-amino-3-oxopropoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788355

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide (CID 62066716) is 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccc(NCC2CCC=CO2)cc1.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide?
The InChIKey is CDBOTDVEUABDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(18)8-10-20-13-6-4-12(5-7-13)17-11-14-3-1-2-9-19-14/h2,4-7,9,14,17H,1,3,8,10-11H2,(H2,16,18).
What are the key properties of 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide?
3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 62066716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).