4-[(N'-ethylcarbamimidoyl)amino]benzamide

C10H14N4O — CID 62380720

IUPAC4-[(N'-ethylcarbamimidoyl)amino]benzamide
SMILESCC/N=C(\N)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N4O/c1-2-13-10(12)14-8-5-3-7(4-6-8)9(11)15/h3-6H,2H2,1H3,(H2,11,15)(H3,12,13,14)
InChIKeyAZSDEFKXPOCDBX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.53
Rot. Bonds3

About 4-[(N'-ethylcarbamimidoyl)amino]benzamide

4-[(N'-ethylcarbamimidoyl)amino]benzamide (PubChem CID 62380720) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[(N'-ethylcarbamimidoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(N'-ethylcarbamimidoyl)amino]benzamide
PubChem CID62380720
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[(N'-ethylcarbamimidoyl)amino]benzamide
SMILESCC/N=C(\N)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N4O/c1-2-13-10(12)14-8-5-3-7(4-6-8)9(11)15/h3-6H,2H2,1H3,(H2,11,15)(H3,12,13,14)
InChIKeyAZSDEFKXPOCDBX-UHFFFAOYSA-N
XLogP0.53
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.53
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

1-[4-(N'-ethylcarbamimidoyl)phenyl]-3-[4-[[4-(N'-ethylcarbamimidoyl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876778
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
4-[(2-bromo-2-methylpropanoyl)amino]benzamide
CID 116816922
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357

Frequently Asked Questions

What is the IUPAC name of 4-[(N'-ethylcarbamimidoyl)amino]benzamide?
The IUPAC name of 4-[(N'-ethylcarbamimidoyl)amino]benzamide (CID 62380720) is 4-[(N'-ethylcarbamimidoyl)amino]benzamide.
What is the SMILES notation for 4-[(N'-ethylcarbamimidoyl)amino]benzamide?
The canonical SMILES for 4-[(N'-ethylcarbamimidoyl)amino]benzamide is CC/N=C(\N)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(N'-ethylcarbamimidoyl)amino]benzamide?
The InChIKey is AZSDEFKXPOCDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-13-10(12)14-8-5-3-7(4-6-8)9(11)15/h3-6H,2H2,1H3,(H2,11,15)(H3,12,13,14).
What are the key properties of 4-[(N'-ethylcarbamimidoyl)amino]benzamide?
4-[(N'-ethylcarbamimidoyl)amino]benzamide has a molecular weight of 206.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N'-ethylcarbamimidoyl)amino]benzamide is sourced from PubChem (CID 62380720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).