N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide

C20H30N4O2 — CID 111145844

IUPACN-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide
SMILESC/N=C(/NCc1cccc(OCC(=O)NC2CC2)c1)N1CCCC(C)C1
InChIInChI=1S/C20H30N4O2/c1-15-5-4-10-24(13-15)20(21-2)22-12-16-6-3-7-18(11-16)26-14-19(25)23-17-8-9-17/h3,6-7,11,15,17H,4-5,8-10,12-14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGAULZMHXMQPZIH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.15
Rot. Bonds6

About N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide

N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide (PubChem CID 111145844) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide
PubChem CID111145844
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide
SMILESC/N=C(/NCc1cccc(OCC(=O)NC2CC2)c1)N1CCCC(C)C1
InChIInChI=1S/C20H30N4O2/c1-15-5-4-10-24(13-15)20(21-2)22-12-16-6-3-7-18(11-16)26-14-19(25)23-17-8-9-17/h3,6-7,11,15,17H,4-5,8-10,12-14H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyGAULZMHXMQPZIH-UHFFFAOYSA-N
XLogP2.15
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144724
N-cyclopropyl-2-[3-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109452668
2-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 110953461
2-[3-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]phenoxy]-N-cyclopropylacetamide
CID 110965752
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N-cyclopropyl-2-[3-[[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111173727
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
N-cyclopropyl-2-[3-[[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111172764
N-cyclopropyl-2-[3-[[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111320043
2-[3-[[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111992470
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide
CID 111144184

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide (CID 111145844) is N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide is C/N=C(/NCc1cccc(OCC(=O)NC2CC2)c1)N1CCCC(C)C1.
What is the InChIKey of N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide?
The InChIKey is GAULZMHXMQPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-5-4-10-24(13-15)20(21-2)22-12-16-6-3-7-18(11-16)26-14-19(25)23-17-8-9-17/h3,6-7,11,15,17H,4-5,8-10,12-14H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide?
N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111145844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).