N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide

C18H22N2O3 — CID 86979557

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCc1ccccc1OCCN(C)C(=O)CCn1ccccc1=O
InChIInChI=1S/C18H22N2O3/c1-15-7-3-4-8-16(15)23-14-13-19(2)17(21)10-12-20-11-6-5-9-18(20)22/h3-9,11H,10,12-14H2,1-2H3
InChIKeyIBBODKSABVAUBP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds7

About N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide

N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86979557) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86979557
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCc1ccccc1OCCN(C)C(=O)CCn1ccccc1=O
InChIInChI=1S/C18H22N2O3/c1-15-7-3-4-8-16(15)23-14-13-19(2)17(21)10-12-20-11-6-5-9-18(20)22/h3-9,11H,10,12-14H2,1-2H3
InChIKeyIBBODKSABVAUBP-UHFFFAOYSA-N
XLogP2.08
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 43290807
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 54993634
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 46438356
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 115759961
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119695596

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 86979557) is N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide is Cc1ccccc1OCCN(C)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is IBBODKSABVAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-15-7-3-4-8-16(15)23-14-13-19(2)17(21)10-12-20-11-6-5-9-18(20)22/h3-9,11H,10,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86979557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).