N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide

C11H17N3O3 — CID 119278256

IUPACN-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(N)C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C11H17N3O3/c1-11(2,12)10(16)14-6-5-13-9(15)8-4-3-7-17-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQWTUQQLCHDQKBK-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.14
Rot. Bonds5

About N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 119278256) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
PubChem CID119278256
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(N)C(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C11H17N3O3/c1-11(2,12)10(16)14-6-5-13-9(15)8-4-3-7-17-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQWTUQQLCHDQKBK-UHFFFAOYSA-N
XLogP-0.14
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide (CID 119278256) is N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide is CC(C)(N)C(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is QWTUQQLCHDQKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,12)10(16)14-6-5-13-9(15)8-4-3-7-17-8/h3-4,7H,5-6,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 119278256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).