4-amino-2-[2-(carbamoylamino)ethylamino]benzamide

C10H15N5O2 — CID 83117175

IUPAC4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
SMILESNC(=O)NCCNc1cc(N)ccc1C(N)=O
InChIInChI=1S/C10H15N5O2/c11-6-1-2-7(9(12)16)8(5-6)14-3-4-15-10(13)17/h1-2,5,14H,3-4,11H2,(H2,12,16)(H3,13,15,17)
InChIKeyYCJGQQCILQBWJP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.55
Rot. Bonds5

About 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide

4-amino-2-[2-(carbamoylamino)ethylamino]benzamide (PubChem CID 83117175) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
PubChem CID83117175
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
SMILESNC(=O)NCCNc1cc(N)ccc1C(N)=O
InChIInChI=1S/C10H15N5O2/c11-6-1-2-7(9(12)16)8(5-6)14-3-4-15-10(13)17/h1-2,5,14H,3-4,11H2,(H2,12,16)(H3,13,15,17)
InChIKeyYCJGQQCILQBWJP-UHFFFAOYSA-N
XLogP-0.55
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 107844200
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
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CID 113487250
4-amino-2-(2,2-difluoroethylamino)benzamide
CID 115405473
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-amino-2-(2-methylpentan-2-ylamino)benzamide
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4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide?
The IUPAC name of 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide (CID 83117175) is 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide.
What is the SMILES notation for 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide?
The canonical SMILES for 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide is NC(=O)NCCNc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide?
The InChIKey is YCJGQQCILQBWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-6-1-2-7(9(12)16)8(5-6)14-3-4-15-10(13)17/h1-2,5,14H,3-4,11H2,(H2,12,16)(H3,13,15,17).
What are the key properties of 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide?
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide has a molecular weight of 237.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(carbamoylamino)ethylamino]benzamide is sourced from PubChem (CID 83117175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).