4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide

C29H46N4O8 — CID 155739810

IUPAC4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCCc1cnn(C(C)c2ccc(C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NC)cc2)c1
InChIInChI=1S/C29H46N4O8/c1-4-25-21-32-33(22-25)24(2)26-5-7-27(8-6-26)29(35)31-9-10-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-23-28(34)30-3/h5-8,21-22,24H,4,9-20,23H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyKPQVKYACZGNFFI-UHFFFAOYSA-N
MW578.71 g/mol
LogP1.63
Rot. Bonds24

About 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 155739810) has the molecular formula C29H46N4O8 and a molecular weight of 578.71 g/mol. Its IUPAC name is 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
PubChem CID155739810
Molecular FormulaC29H46N4O8
Molecular Weight578.71 g/mol
Exact Mass578.33
IUPAC Name4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCCc1cnn(C(C)c2ccc(C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NC)cc2)c1
InChIInChI=1S/C29H46N4O8/c1-4-25-21-32-33(22-25)24(2)26-5-7-27(8-6-26)29(35)31-9-10-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-23-28(34)30-3/h5-8,21-22,24H,4,9-20,23H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyKPQVKYACZGNFFI-UHFFFAOYSA-N
XLogP1.63
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 163401701
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-propan-2-ylpyrazol-1-yl)ethyl]benzamide
CID 167386732
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
CID 166976215
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 169316843

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 155739810) is 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide is CCc1cnn(C(C)c2ccc(C(=O)NCCOCCOCCOCCOCCOCCOCC(=O)NC)cc2)c1.
What is the InChIKey of 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is KPQVKYACZGNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O8/c1-4-25-21-32-33(22-25)24(2)26-5-7-27(8-6-26)29(35)31-9-10-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-23-28(34)30-3/h5-8,21-22,24H,4,9-20,23H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 578.71 g/mol, XLogP of 1.63, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 155739810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).