N-[(4-carbamimidoylphenyl)methyl]acetamide

C10H13N3O — CID 16744801

IUPACN-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C10H13N3O/c1-7(14)13-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6H2,1H3,(H3,11,12)(H,13,14)
InChIKeyYLTXQTDCTVLDLJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.61
Rot. Bonds3

About N-[(4-carbamimidoylphenyl)methyl]acetamide

N-[(4-carbamimidoylphenyl)methyl]acetamide (PubChem CID 16744801) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]acetamide
PubChem CID16744801
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C10H13N3O/c1-7(14)13-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6H2,1H3,(H3,11,12)(H,13,14)
InChIKeyYLTXQTDCTVLDLJ-UHFFFAOYSA-N
XLogP0.61
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.61
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-acetamido-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 70335688
4-[[1-(4-methylphenyl)ethenylamino]methyl]benzenecarboximidamide
CID 170072925
N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
CID 79155826
4-[[[(E)-4-oxo-5-phenylpent-2-en-3-yl]amino]methyl]benzenecarboximidamide
CID 91469012
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-(acetamidomethyl)benzoate
CID 4573914
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 22713567
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-phenylpropanamide;hydrochloride
CID 69290685
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
trans-(1R,2R)-2-N-benzyl-1-N-[(4-carbamimidoylphenyl)methyl]cyclopentane-1,2-dicarboxamide
CID 10667379

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]acetamide (CID 16744801) is N-[(4-carbamimidoylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]acetamide is [H]/N=C(\N)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]acetamide?
The InChIKey is YLTXQTDCTVLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(14)13-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6H2,1H3,(H3,11,12)(H,13,14).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]acetamide?
N-[(4-carbamimidoylphenyl)methyl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoylphenyl)methyl]acetamide is sourced from PubChem (CID 16744801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).