N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide

C22H30N4O2 — CID 111217705

IUPACN-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide
SMILESCCN/C(=N\Cc1ccccc1OC)NCC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H30N4O2/c1-4-23-22(24-15-19-13-9-10-14-20(19)28-3)25-16-21(27)26(5-2)17-18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3,(H2,23,24,25)
InChIKeyRDYDFEXODKXANA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.80
Rot. Bonds9

About N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide

N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide (PubChem CID 111217705) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide
PubChem CID111217705
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide
SMILESCCN/C(=N\Cc1ccccc1OC)NCC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H30N4O2/c1-4-23-22(24-15-19-13-9-10-14-20(19)28-3)25-16-21(27)26(5-2)17-18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3,(H2,23,24,25)
InChIKeyRDYDFEXODKXANA-UHFFFAOYSA-N
XLogP2.80
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.80
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-benzyl-2-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-ethylacetamide
CID 111880987
N-benzyl-2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-ethylacetamide
CID 111902301
N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111251230
N-benzyl-N-ethyl-2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111338904
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500419
N,N-diethyl-4-[[[ethylamino-[(2-methoxyphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111215809
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216534
1-ethyl-3-(2-hydroxy-3-phenylpropyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216894
2-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-ethylacetamide
CID 111880705
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111217149

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide (CID 111217705) is N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide is CCN/C(=N\Cc1ccccc1OC)NCC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide?
The InChIKey is RDYDFEXODKXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-23-22(24-15-19-13-9-10-14-20(19)28-3)25-16-21(27)26(5-2)17-18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3,(H2,23,24,25).
What are the key properties of N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide?
N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111217705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).