N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide

C18H22N2O2 — CID 86828425

IUPACN-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(OCC(C)NC(=O)CCc2cccnc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-3-7-17(11-14)22-13-15(2)20-18(21)9-8-16-6-4-10-19-12-16/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,21)
InChIKeyFFPPDZCMPDUVOQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds7

About N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide

N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 86828425) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID86828425
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(OCC(C)NC(=O)CCc2cccnc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-3-7-17(11-14)22-13-15(2)20-18(21)9-8-16-6-4-10-19-12-16/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,21)
InChIKeyFFPPDZCMPDUVOQ-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
CID 86828499
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051537
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
CID 119950399
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide (CID 86828425) is N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide is Cc1cccc(OCC(C)NC(=O)CCc2cccnc2)c1.
What is the InChIKey of N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is FFPPDZCMPDUVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-5-3-7-17(11-14)22-13-15(2)20-18(21)9-8-16-6-4-10-19-12-16/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide?
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 86828425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).