4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

C28H32N4O4 — CID 3226999

IUPAC4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(C(=O)C(Cc3cccc4ccccc34)NC(C)=O)CC2)cc1
InChIInChI=1S/C28H32N4O4/c1-3-36-24-13-11-23(12-14-24)30-28(35)32-17-15-31(16-18-32)27(34)26(29-20(2)33)19-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,26H,3,15-19H2,1-2H3,(H,29,33)(H,30,35)
InChIKeySGNPOAMIBCYMBG-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.66
Rot. Bonds7

About 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3226999) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID3226999
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(C(=O)C(Cc3cccc4ccccc34)NC(C)=O)CC2)cc1
InChIInChI=1S/C28H32N4O4/c1-3-36-24-13-11-23(12-14-24)30-28(35)32-17-15-31(16-18-32)27(34)26(29-20(2)33)19-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,26H,3,15-19H2,1-2H3,(H,29,33)(H,30,35)
InChIKeySGNPOAMIBCYMBG-UHFFFAOYSA-N
XLogP3.66
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 42707354
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 37017427
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
CID 134085239
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 3226999) is 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(C(=O)C(Cc3cccc4ccccc34)NC(C)=O)CC2)cc1.
What is the InChIKey of 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is SGNPOAMIBCYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-3-36-24-13-11-23(12-14-24)30-28(35)32-17-15-31(16-18-32)27(34)26(29-20(2)33)19-22-9-6-8-21-7-4-5-10-25(21)22/h4-14,26H,3,15-19H2,1-2H3,(H,29,33)(H,30,35).
What are the key properties of 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamido-3-naphthalen-1-ylpropanoyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3226999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).