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

C15H22N4O — CID 111867274

IUPACN-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)NCc1ccccc1)NCC1CC1
InChIInChI=1S/C15H22N4O/c1-16-15(18-10-13-7-8-13)19-11-14(20)17-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyUHZZPDUWKJWXJL-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.88
Rot. Bonds6

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

N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111867274) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111867274
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)NCc1ccccc1)NCC1CC1
InChIInChI=1S/C15H22N4O/c1-16-15(18-10-13-7-8-13)19-11-14(20)17-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyUHZZPDUWKJWXJL-UHFFFAOYSA-N
XLogP0.88
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111869260
N-benzyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110965255
N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
CID 166182609
N-benzyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111250667
1-benzyl-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 110953290
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-benzyl-2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111880265
N-benzyl-2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111259110
N-benzyl-2-[[N-[2-(4-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111169651
1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111619045
N-benzyl-2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111892353
1-(cyclopropylmethyl)-2-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]guanidine
CID 111869560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide (CID 111867274) is N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide is C/N=C(/NCC(=O)NCc1ccccc1)NCC1CC1.
What is the InChIKey of N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is UHZZPDUWKJWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-16-15(18-10-13-7-8-13)19-11-14(20)17-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide?
N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 274.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111867274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).