N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide

C17H29N3O4+2 — CID 5059200

IUPACN-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[NH+]2CC[NH+](CCO)CC2)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-23-14-3-4-15(16(13-14)24-2)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)/p+2
InChIKeyVLXXBRUKGMTJQT-UHFFFAOYSA-P
MW339.44 g/mol
LogP-2.19
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide (PubChem CID 5059200) has the molecular formula C17H29N3O4+2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
PubChem CID5059200
Molecular FormulaC17H29N3O4+2
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[NH+]2CC[NH+](CCO)CC2)c(OC)c1
InChIInChI=1S/C17H27N3O4/c1-23-14-3-4-15(16(13-14)24-2)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)/p+2
InChIKeyVLXXBRUKGMTJQT-UHFFFAOYSA-P
XLogP-2.19
TPSA76.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4742368
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N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259349
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
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2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
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N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide (CID 5059200) is N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide is COc1ccc(NC(=O)CC[NH+]2CC[NH+](CCO)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide?
The InChIKey is VLXXBRUKGMTJQT-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H27N3O4/c1-23-14-3-4-15(16(13-14)24-2)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)/p+2.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of -2.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide is sourced from PubChem (CID 5059200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).