3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide

C21H28N2O2 — CID 37487440

IUPAC3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
SMILESCCOc1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-25-20-17(7-6-14-22-20)15-23-19(24)13-10-16-8-11-18(12-9-16)21(2,3)4/h6-9,11-12,14H,5,10,13,15H2,1-4H3,(H,23,24)
InChIKeyYYUMNAOYZGTNDV-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.03
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide

3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide (PubChem CID 37487440) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
PubChem CID37487440
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
SMILESCCOc1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-25-20-17(7-6-14-22-20)15-23-19(24)13-10-16-8-11-18(12-9-16)21(2,3)4/h6-9,11-12,14H,5,10,13,15H2,1-4H3,(H,23,24)
InChIKeyYYUMNAOYZGTNDV-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134004654
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 38537714
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 91816031
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide (CID 37487440) is 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide is CCOc1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is YYUMNAOYZGTNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-25-20-17(7-6-14-22-20)15-23-19(24)13-10-16-8-11-18(12-9-16)21(2,3)4/h6-9,11-12,14H,5,10,13,15H2,1-4H3,(H,23,24).
What are the key properties of 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 37487440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).