N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide

C20H26N4O2 — CID 111880265

IUPACN-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESCCOc1ccccc1CN/C(=N/C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-17(18)14-23-20(21-2)24-15-19(25)22-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyXFWAGBLMTCPNFP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.07
Rot. Bonds8

About N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide

N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111880265) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111880265
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESCCOc1ccccc1CN/C(=N/C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-17(18)14-23-20(21-2)24-15-19(25)22-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyXFWAGBLMTCPNFP-UHFFFAOYSA-N
XLogP2.07
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
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

1-[(2-ethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111181265
ethyl 4-[[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111880652
1-[(2-ethoxyphenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111881114
3-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111881700
N-benzyl-2-[[N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111573992
1-[(2-ethoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265189
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881593
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111880629
N-[3-[[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylbutanamide;hydroiodide
CID 111880640
N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111867274
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111128254
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111880364

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 111880265) is N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide is CCOc1ccccc1CN/C(=N/C)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is XFWAGBLMTCPNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-17(18)14-23-20(21-2)24-15-19(25)22-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H2,21,23,24).
What are the key properties of N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111880265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).