5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide

C16H19N3O3 — CID 19391034

IUPAC5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide
SMILES[H]/N=C(\N)c1ccc(CCCCC(=O)NC2=COC(=O)C2)cc1
InChIInChI=1S/C16H19N3O3/c17-16(18)12-7-5-11(6-8-12)3-1-2-4-14(20)19-13-9-15(21)22-10-13/h5-8,10H,1-4,9H2,(H3,17,18)(H,19,20)
InChIKeyKTMQOXAULZPDHH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds7

About 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide

5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide (PubChem CID 19391034) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide.

Molecular Properties

Compound Name5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide
PubChem CID19391034
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide
SMILES[H]/N=C(\N)c1ccc(CCCCC(=O)NC2=COC(=O)C2)cc1
InChIInChI=1S/C16H19N3O3/c17-16(18)12-7-5-11(6-8-12)3-1-2-4-14(20)19-13-9-15(21)22-10-13/h5-8,10H,1-4,9H2,(H3,17,18)(H,19,20)
InChIKeyKTMQOXAULZPDHH-UHFFFAOYSA-N
XLogP1.59
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-2-carboxyethyl]benzoic acid
CID 19757354
3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(cyclohexen-1-yl)propanoic acid
CID 57282907
(3S)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxo-4-(2-phenylethylamino)butanoic acid
CID 57170787
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-phenylpropanoate
CID 19757290
methyl 3-(4-carbamimidoylphenyl)propanoate;hydrochloride
CID 19376397
3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-naphthalen-1-ylbutanoic acid
CID 19757318
4-[4-[(2R,4R)-4-hydroxy-4-methyl-6-oxooxan-2-yl]butyl]benzenecarboximidamide
CID 15817313
3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-methylphenyl)sulfonylbutanoic acid
CID 19431773
(4R)-5-[4-(4-carbamimidoylphenyl)butylamino]-4-hydroxy-5-oxopentanoic acid
CID 15391511

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide?
The IUPAC name of 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide (CID 19391034) is 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide.
What is the SMILES notation for 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide?
The canonical SMILES for 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide is [H]/N=C(\N)c1ccc(CCCCC(=O)NC2=COC(=O)C2)cc1.
What is the InChIKey of 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide?
The InChIKey is KTMQOXAULZPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-16(18)12-7-5-11(6-8-12)3-1-2-4-14(20)19-13-9-15(21)22-10-13/h5-8,10H,1-4,9H2,(H3,17,18)(H,19,20).
What are the key properties of 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide?
5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide has a molecular weight of 301.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamimidoylphenyl)-N-(2-oxo-3H-furan-4-yl)pentanamide is sourced from PubChem (CID 19391034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).