2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C20H26N2O2 — CID 87041727

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C20H26N2O2/c1-13(2)19-10-9-18(11-14(19)3)24-16(5)20(23)21-12-17-8-6-7-15(4)22-17/h6-11,13,16H,12H2,1-5H3,(H,21,23)
InChIKeyJRBZJKVQUYVJQP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 87041727) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID87041727
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C20H26N2O2/c1-13(2)19-10-9-18(11-14(19)3)24-16(5)20(23)21-12-17-8-6-7-15(4)22-17/h6-11,13,16H,12H2,1-5H3,(H,21,23)
InChIKeyJRBZJKVQUYVJQP-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47048125
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55903216
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 87041727) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is Cc1cccc(CNC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)n1.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is JRBZJKVQUYVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)19-10-9-18(11-14(19)3)24-16(5)20(23)21-12-17-8-6-7-15(4)22-17/h6-11,13,16H,12H2,1-5H3,(H,21,23).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 87041727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).