N-carbamimidoyl-N-ethylbenzamide

C10H13N3O — CID 138105289

IUPACN-carbamimidoyl-N-ethylbenzamide
SMILES[H]/N=C(\N)N(CC)C(=O)c1ccccc1
InChIInChI=1S/C10H13N3O/c1-2-13(10(11)12)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12)
InChIKeyQTWWQMRUKDGPEE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.04
Rot. Bonds2

About N-carbamimidoyl-N-ethylbenzamide

N-carbamimidoyl-N-ethylbenzamide (PubChem CID 138105289) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-carbamimidoyl-N-ethylbenzamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-ethylbenzamide
PubChem CID138105289
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-carbamimidoyl-N-ethylbenzamide
SMILES[H]/N=C(\N)N(CC)C(=O)c1ccccc1
InChIInChI=1S/C10H13N3O/c1-2-13(10(11)12)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12)
InChIKeyQTWWQMRUKDGPEE-UHFFFAOYSA-N
XLogP1.04
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.04
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

N-carbamimidoyl-N-hydroxybenzamide
CID 142670447
1-benzoyl-1-(dimethylamino)guanidine
CID 67736617
N-carbamimidoyl-N-fluorobenzamide
CID 140974582
1-carbamimidoyl-1-ethyl-2-phenylguanidine
CID 175345301
N-ethanethioyl-N-ethylbenzamide
CID 45118543
benzenecarboximidamide;propanoic acid
CID 159833627
N-acetyl-N-(2,2-dimethylpropyl)benzamide
CID 142599008
CID 174412487
CID 174412487
2-[2-[carbamimidoyl(phenyl)carbamoyl]-4-ethylphenyl]-5-[carboxy(ethyl)carbamoyl]benzoic acid
CID 91079490
N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
CID 70407062
N-carbamothioyl-N-decylbenzamide
CID 161130418
1,1-dibenzylguanidine
CID 9487

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-ethylbenzamide?
The IUPAC name of N-carbamimidoyl-N-ethylbenzamide (CID 138105289) is N-carbamimidoyl-N-ethylbenzamide.
What is the SMILES notation for N-carbamimidoyl-N-ethylbenzamide?
The canonical SMILES for N-carbamimidoyl-N-ethylbenzamide is [H]/N=C(\N)N(CC)C(=O)c1ccccc1.
What is the InChIKey of N-carbamimidoyl-N-ethylbenzamide?
The InChIKey is QTWWQMRUKDGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-13(10(11)12)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12).
What are the key properties of N-carbamimidoyl-N-ethylbenzamide?
N-carbamimidoyl-N-ethylbenzamide has a molecular weight of 191.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-ethylbenzamide is sourced from PubChem (CID 138105289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).