N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

C28H32N4O4 — CID 3208392

IUPACN'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C28H32N4O4/c1-3-36-24-11-9-23(10-12-24)32(20-27(34)30-18-16-22-7-5-4-6-8-22)28(35)14-13-26(33)31-25-19-21(2)15-17-29-25/h4-12,15,17,19H,3,13-14,16,18,20H2,1-2H3,(H,30,34)(H,29,31,33)
InChIKeyAMIXGDCARDMQIT-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.90
Rot. Bonds12

About N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide

N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (PubChem CID 3208392) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
PubChem CID3208392
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
SMILESCCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C28H32N4O4/c1-3-36-24-11-9-23(10-12-24)32(20-27(34)30-18-16-22-7-5-4-6-8-22)28(35)14-13-26(33)31-25-19-21(2)15-17-29-25/h4-12,15,17,19H,3,13-14,16,18,20H2,1-2H3,(H,30,34)(H,29,31,33)
InChIKeyAMIXGDCARDMQIT-UHFFFAOYSA-N
XLogP3.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide with MolForge

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Related Compounds

N'-(4-ethoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205266
N'-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208402
N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208386
N'-(3,5-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204774
N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208417
N'-[2-(benzylamino)-2-oxoethyl]-N'-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205297
N'-(2,4-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3866552
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
CID 46427204
N'-(4-fluorophenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205158
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3204830
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide (CID 3208392) is N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is CCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
The InChIKey is AMIXGDCARDMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-3-36-24-11-9-23(10-12-24)32(20-27(34)30-18-16-22-7-5-4-6-8-22)28(35)14-13-26(33)31-25-19-21(2)15-17-29-25/h4-12,15,17,19H,3,13-14,16,18,20H2,1-2H3,(H,30,34)(H,29,31,33).
What are the key properties of N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide?
N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide has a molecular weight of 488.59 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide is sourced from PubChem (CID 3208392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).