N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide

C28H32N2O3 — CID 167548435

IUPACN-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)c1ccc(-c2ccc(C(=O)CCc3cccnc3CC)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-4-26-23(7-6-18-29-26)14-17-27(31)24-10-8-21(9-11-24)22-12-15-25(16-13-22)30(19-20-33-3)28(32)5-2/h6-13,15-16,18H,4-5,14,17,19-20H2,1-3H3
InChIKeyDIBFNOLSQOENTN-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.52
Rot. Bonds11

About N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide

N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide (PubChem CID 167548435) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
PubChem CID167548435
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)c1ccc(-c2ccc(C(=O)CCc3cccnc3CC)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-4-26-23(7-6-18-29-26)14-17-27(31)24-10-8-21(9-11-24)22-12-15-25(16-13-22)30(19-20-33-3)28(32)5-2/h6-13,15-16,18H,4-5,14,17,19-20H2,1-3H3
InChIKeyDIBFNOLSQOENTN-UHFFFAOYSA-N
XLogP5.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
CID 167637439
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 167607738
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167657886
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
2,3-diethylpyridine
CID 14747123
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167616697

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide (CID 167548435) is N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide is CCC(=O)N(CCOC)c1ccc(-c2ccc(C(=O)CCc3cccnc3CC)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide?
The InChIKey is DIBFNOLSQOENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-4-26-23(7-6-18-29-26)14-17-27(31)24-10-8-21(9-11-24)22-12-15-25(16-13-22)30(19-20-33-3)28(32)5-2/h6-13,15-16,18H,4-5,14,17,19-20H2,1-3H3.
What are the key properties of N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide?
N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 444.58 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 167548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).