N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide

C23H37N5O2 — CID 111499727

IUPACN-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide
SMILESCCN/C(=N\Cc1ccccc1OC(C)(C)C)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H37N5O2/c1-5-24-22(25-16-18-8-6-7-9-20(18)30-23(2,3)4)28-14-12-27(13-15-28)17-21(29)26-19-10-11-19/h6-9,19H,5,10-17H2,1-4H3,(H,24,25)(H,26,29)
InChIKeyGDDRRSLJKUVGCF-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.23
Rot. Bonds7

About N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide (PubChem CID 111499727) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide
PubChem CID111499727
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide
SMILESCCN/C(=N\Cc1ccccc1OC(C)(C)C)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H37N5O2/c1-5-24-22(25-16-18-8-6-7-9-20(18)30-23(2,3)4)28-14-12-27(13-15-28)17-21(29)26-19-10-11-19/h6-9,19H,5,10-17H2,1-4H3,(H,24,25)(H,26,29)
InChIKeyGDDRRSLJKUVGCF-UHFFFAOYSA-N
XLogP2.23
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]piperazin-1-yl]acetamide
CID 111503577
N-cyclopropyl-2-[4-[N-ethyl-N'-[(3-hydroxyphenyl)methyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111378955
N-cyclopropyl-2-[4-[N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111378885
N-cyclopropyl-2-[4-[N-ethyl-N'-[(4-nitrophenyl)methyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111379019
tert-butyl N-[2-[[[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109392805
N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111378895
N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide
CID 111379026
N-cyclopropyl-2-[4-[N'-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethylcarbamimidoyl]piperazin-1-yl]acetamide
CID 111982239
2-[4-[N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N-ethylcarbamimidoyl]piperazin-1-yl]-N-cyclopropylacetamide;hydroiodide
CID 111502686
N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 109403052
2-[4-[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412201
ethyl 4-[N-ethyl-N'-[(2-methylphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163216

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide (CID 111499727) is N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide is CCN/C(=N\Cc1ccccc1OC(C)(C)C)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide?
The InChIKey is GDDRRSLJKUVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-5-24-22(25-16-18-8-6-7-9-20(18)30-23(2,3)4)28-14-12-27(13-15-28)17-21(29)26-19-10-11-19/h6-9,19H,5,10-17H2,1-4H3,(H,24,25)(H,26,29).
What are the key properties of N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 111499727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).