N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride

C10H16ClN3O3 — CID 119278257

IUPACN-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O3.ClH/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8;/h1-2,7H,3-6,11H2,(H,12,14)(H,13,15);1H
InChIKeyPLOATKIBNUUANR-UHFFFAOYSA-N
MW261.71 g/mol
LogP-0.10
Rot. Bonds6

About N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride

N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 119278257) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
PubChem CID119278257
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC NameN-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O3.ClH/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8;/h1-2,7H,3-6,11H2,(H,12,14)(H,13,15);1H
InChIKeyPLOATKIBNUUANR-UHFFFAOYSA-N
XLogP-0.10
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride 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-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34452082
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride (CID 119278257) is N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride is Cl.NCCC(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is PLOATKIBNUUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.ClH/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8;/h1-2,7H,3-6,11H2,(H,12,14)(H,13,15);1H.
What are the key properties of N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride?
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 261.71 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119278257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).