3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide

C21H28N2O3 — CID 55902641

IUPAC3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCC(C)COCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H28N2O3/c1-16(2)14-25-12-10-21(24)23-17(3)18-7-6-9-20(13-18)26-15-19-8-4-5-11-22-19/h4-9,11,13,16-17H,10,12,14-15H2,1-3H3,(H,23,24)
InChIKeyFQLKBMVPVCJQRK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.90
Rot. Bonds10

About 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide

3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (PubChem CID 55902641) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
PubChem CID55902641
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
SMILESCC(C)COCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H28N2O3/c1-16(2)14-25-12-10-21(24)23-17(3)18-7-6-9-20(13-18)26-15-19-8-4-5-11-22-19/h4-9,11,13,16-17H,10,12,14-15H2,1-3H3,(H,23,24)
InChIKeyFQLKBMVPVCJQRK-UHFFFAOYSA-N
XLogP3.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide (CID 55902641) is 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is CC(C)COCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
The InChIKey is FQLKBMVPVCJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(2)14-25-12-10-21(24)23-17(3)18-7-6-9-20(13-18)26-15-19-8-4-5-11-22-19/h4-9,11,13,16-17H,10,12,14-15H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide?
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 55902641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).