N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide

C23H24N2O2 — CID 18830895

IUPACN-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)N(Cc2ccccc2)c2ccccn2)cc1C
InChIInChI=1S/C23H24N2O2/c1-17-12-13-21(15-18(17)2)27-19(3)23(26)25(22-11-7-8-14-24-22)16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3
InChIKeyAANNLQLJJPFFOB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.70
Rot. Bonds6

About N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide

N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide (PubChem CID 18830895) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
PubChem CID18830895
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)N(Cc2ccccc2)c2ccccn2)cc1C
InChIInChI=1S/C23H24N2O2/c1-17-12-13-21(15-18(17)2)27-19(3)23(26)25(22-11-7-8-14-24-22)16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3
InChIKeyAANNLQLJJPFFOB-UHFFFAOYSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 35041654
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenoxy)-N-pyridin-2-ylpropanamide
CID 35576773
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide
CID 122280057
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
N-(2-hydroxyphenyl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 108732542
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
CID 1124076
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide (CID 18830895) is N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide is Cc1ccc(OC(C)C(=O)N(Cc2ccccc2)c2ccccn2)cc1C.
What is the InChIKey of N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide?
The InChIKey is AANNLQLJJPFFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-12-13-21(15-18(17)2)27-19(3)23(26)25(22-11-7-8-14-24-22)16-20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3.
What are the key properties of N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide?
N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 18830895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).