2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide

C17H19ClN2O3 — CID 51303948

IUPAC2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,23-14-7-5-13(18)6-8-14)16(21)20-11-12-4-9-15(22-3)19-10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMMOWIBLSYVSDRU-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide (PubChem CID 51303948) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide
PubChem CID51303948
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,23-14-7-5-13(18)6-8-14)16(21)20-11-12-4-9-15(22-3)19-10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMMOWIBLSYVSDRU-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
2-(4-chlorophenoxy)-2-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]propanamide
CID 121018855
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 1107035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide (CID 51303948) is 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide is COc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide?
The InChIKey is MMOWIBLSYVSDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-17(2,23-14-7-5-13(18)6-8-14)16(21)20-11-12-4-9-15(22-3)19-10-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide has a molecular weight of 334.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 51303948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).