N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide

C25H34N4O6 — CID 3205178

IUPACN'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccc(C(C(=O)NCCOC)N(CCOC)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H34N4O6/c1-4-35-20-10-8-19(9-11-20)24(25(32)27-15-17-33-2)29(16-18-34-3)23(31)13-12-22(30)28-21-7-5-6-14-26-21/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,27,32)(H,26,28,30)
InChIKeyALGHLJIGAFWWMG-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.18
Rot. Bonds15

About N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide

N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3205178) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
PubChem CID3205178
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC NameN'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccc(C(C(=O)NCCOC)N(CCOC)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H34N4O6/c1-4-35-20-10-8-19(9-11-20)24(25(32)27-15-17-33-2)29(16-18-34-3)23(31)13-12-22(30)28-21-7-5-6-14-26-21/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,27,32)(H,26,28,30)
InChIKeyALGHLJIGAFWWMG-UHFFFAOYSA-N
XLogP2.18
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide (CID 3205178) is N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide is CCOc1ccc(C(C(=O)NCCOC)N(CCOC)C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is ALGHLJIGAFWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-4-35-20-10-8-19(9-11-20)24(25(32)27-15-17-33-2)29(16-18-34-3)23(31)13-12-22(30)28-21-7-5-6-14-26-21/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,27,32)(H,26,28,30).
What are the key properties of N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide?
N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 486.57 g/mol, XLogP of 2.18, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethoxyphenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).