N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide

C18H22N2O2 — CID 60508904

IUPACN-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCc1ccncc1
InChIInChI=1S/C18H22N2O2/c1-20(14-5-15-22-17-6-3-2-4-7-17)18(21)9-8-16-10-12-19-13-11-16/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3
InChIKeyBTEZVWRSNLVBDW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.94
Rot. Bonds8

About N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide

N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide (PubChem CID 60508904) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
PubChem CID60508904
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
SMILESCN(CCCOc1ccccc1)C(=O)CCc1ccncc1
InChIInChI=1S/C18H22N2O2/c1-20(14-5-15-22-17-6-3-2-4-7-17)18(21)9-8-16-10-12-19-13-11-16/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3
InChIKeyBTEZVWRSNLVBDW-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide (CID 60508904) is N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide is CN(CCCOc1ccccc1)C(=O)CCc1ccncc1.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide?
The InChIKey is BTEZVWRSNLVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(14-5-15-22-17-6-3-2-4-7-17)18(21)9-8-16-10-12-19-13-11-16/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide?
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 60508904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).