2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide

C13H18N4O — CID 110934385

IUPAC2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
SMILESC/N=C(\NCC(=O)Nc1ccccc1)NC1CC1
InChIInChI=1S/C13H18N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyQMUKDCQBQXYDOS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.95
Rot. Bonds4

About 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide

2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide (PubChem CID 110934385) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
PubChem CID110934385
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
SMILESC/N=C(\NCC(=O)Nc1ccccc1)NC1CC1
InChIInChI=1S/C13H18N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyQMUKDCQBQXYDOS-UHFFFAOYSA-N
XLogP0.95
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.95
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'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111316874
ethyl 4-[[N-(2-anilino-2-oxoethyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327744
2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111018105
N-(4-fluorophenyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide
CID 111257049
2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
CID 111922227
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-(3-ethynylphenyl)acetamide
CID 110990859
2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111001348
2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111179524
N-(4-fluorophenyl)-2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]acetamide
CID 111018139
N-(3-fluorophenyl)-2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111909338
N-(3-fluorophenyl)-2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111319163
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312

Frequently Asked Questions

What is the IUPAC name of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide (CID 110934385) is 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide is C/N=C(\NCC(=O)Nc1ccccc1)NC1CC1.
What is the InChIKey of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide?
The InChIKey is QMUKDCQBQXYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-14-13(17-11-7-8-11)15-9-12(18)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)(H2,14,15,17).
What are the key properties of 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide?
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide is sourced from PubChem (CID 110934385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).