N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C22H42N4O3 — CID 30738203

IUPACN-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2CCN(CC(=O)NCCOC)CC2)CC1
InChIInChI=1S/C22H42N4O3/c1-5-22(2,3)18-6-8-19(9-7-18)24-21(28)17-26-13-11-25(12-14-26)16-20(27)23-10-15-29-4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyQJGVCFZZBANUQD-UHFFFAOYSA-N
MW410.60 g/mol
LogP1.48
Rot. Bonds10

About N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30738203) has the molecular formula C22H42N4O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30738203
Molecular FormulaC22H42N4O3
Molecular Weight410.60 g/mol
Exact Mass410.33
IUPAC NameN-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2CCN(CC(=O)NCCOC)CC2)CC1
InChIInChI=1S/C22H42N4O3/c1-5-22(2,3)18-6-8-19(9-7-18)24-21(28)17-26-13-11-25(12-14-26)16-20(27)23-10-15-29-4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyQJGVCFZZBANUQD-UHFFFAOYSA-N
XLogP1.48
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549377
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-cyclopropyl-4-[[ethylamino-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]butanamide;hydroiodide
CID 111412071
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30738203) is N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is CCC(C)(C)C1CCC(NC(=O)CN2CCN(CC(=O)NCCOC)CC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is QJGVCFZZBANUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O3/c1-5-22(2,3)18-6-8-19(9-7-18)24-21(28)17-26-13-11-25(12-14-26)16-20(27)23-10-15-29-4/h18-19H,5-17H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 410.60 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30738203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).