N'-(4-carbamimidoylphenyl)propanediamide

C10H12N4O2 — CID 142702544

IUPACN'-(4-carbamimidoylphenyl)propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(N)=O)cc1
InChIInChI=1S/C10H12N4O2/c11-8(15)5-9(16)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2,(H2,11,15)(H3,12,13)(H,14,16)
InChIKeyKGNQHIXMKSUKSM-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.22
Rot. Bonds4

About N'-(4-carbamimidoylphenyl)propanediamide

N'-(4-carbamimidoylphenyl)propanediamide (PubChem CID 142702544) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N'-(4-carbamimidoylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-carbamimidoylphenyl)propanediamide
PubChem CID142702544
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN'-(4-carbamimidoylphenyl)propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(N)=O)cc1
InChIInChI=1S/C10H12N4O2/c11-8(15)5-9(16)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2,(H2,11,15)(H3,12,13)(H,14,16)
InChIKeyKGNQHIXMKSUKSM-UHFFFAOYSA-N
XLogP-0.22
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
CID 2014
N'-(4-carbamimidoylphenyl)-N-[(2-phenylphenyl)methyl]propanediamide
CID 59110671
N'-(4-fluorophenyl)propanediamide
CID 18174009
N'-(4-bromophenyl)propanediamide
CID 15154636
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-cyanopropanoic acid
CID 54330319
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441

Frequently Asked Questions

What is the IUPAC name of N'-(4-carbamimidoylphenyl)propanediamide?
The IUPAC name of N'-(4-carbamimidoylphenyl)propanediamide (CID 142702544) is N'-(4-carbamimidoylphenyl)propanediamide.
What is the SMILES notation for N'-(4-carbamimidoylphenyl)propanediamide?
The canonical SMILES for N'-(4-carbamimidoylphenyl)propanediamide is [H]/N=C(\N)c1ccc(NC(=O)CC(N)=O)cc1.
What is the InChIKey of N'-(4-carbamimidoylphenyl)propanediamide?
The InChIKey is KGNQHIXMKSUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-8(15)5-9(16)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2,(H2,11,15)(H3,12,13)(H,14,16).
What are the key properties of N'-(4-carbamimidoylphenyl)propanediamide?
N'-(4-carbamimidoylphenyl)propanediamide has a molecular weight of 220.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-carbamimidoylphenyl)propanediamide is sourced from PubChem (CID 142702544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).