N-(N'-methyl-N-phenylcarbamimidoyl)acetamide

C10H13N3O — CID 57075096

IUPACN-(N'-methyl-N-phenylcarbamimidoyl)acetamide
SMILESC/N=C(\NC(C)=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(14)12-10(11-2)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,12,13,14)
InChIKeyXRJMWVDMGXHNMP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.22
Rot. Bonds1

About N-(N'-methyl-N-phenylcarbamimidoyl)acetamide

N-(N'-methyl-N-phenylcarbamimidoyl)acetamide (PubChem CID 57075096) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(N'-methyl-N-phenylcarbamimidoyl)acetamide.

Molecular Properties

Compound NameN-(N'-methyl-N-phenylcarbamimidoyl)acetamide
PubChem CID57075096
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(N'-methyl-N-phenylcarbamimidoyl)acetamide
SMILESC/N=C(\NC(C)=O)Nc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(14)12-10(11-2)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,12,13,14)
InChIKeyXRJMWVDMGXHNMP-UHFFFAOYSA-N
XLogP1.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

cobalt;N-phenylacetamide
CID 158689050
nitrous acid;N-phenylacetamide
CID 174797407
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]acetamide
CID 135641854
1-ethyl-2-methyl-3-phenylguanidine
CID 140989198
acetyl bromide;N-phenylacetamide
CID 175285562
N-phenylacetamide;toluene
CID 175205531
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
N-(4-phenylphenyl)acetamide
CID 19998
1-cyano-2-methyl-3-phenylguanidine;ethane
CID 90945142
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015

Frequently Asked Questions

What is the IUPAC name of N-(N'-methyl-N-phenylcarbamimidoyl)acetamide?
The IUPAC name of N-(N'-methyl-N-phenylcarbamimidoyl)acetamide (CID 57075096) is N-(N'-methyl-N-phenylcarbamimidoyl)acetamide.
What is the SMILES notation for N-(N'-methyl-N-phenylcarbamimidoyl)acetamide?
The canonical SMILES for N-(N'-methyl-N-phenylcarbamimidoyl)acetamide is C/N=C(\NC(C)=O)Nc1ccccc1.
What is the InChIKey of N-(N'-methyl-N-phenylcarbamimidoyl)acetamide?
The InChIKey is XRJMWVDMGXHNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(14)12-10(11-2)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,12,13,14).
What are the key properties of N-(N'-methyl-N-phenylcarbamimidoyl)acetamide?
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methyl-N-phenylcarbamimidoyl)acetamide is sourced from PubChem (CID 57075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).