N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide

C11H15N3O4 — CID 116651623

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)C(CN)C1CC1
InChIInChI=1S/C11H15N3O4/c1-13(8(6-12)7-2-3-7)11(15)9-4-5-10(18-9)14(16)17/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyPNCCRKKQAGZXPK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.00
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 116651623) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID116651623
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)C(CN)C1CC1
InChIInChI=1S/C11H15N3O4/c1-13(8(6-12)7-2-3-7)11(15)9-4-5-10(18-9)14(16)17/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyPNCCRKKQAGZXPK-UHFFFAOYSA-N
XLogP1.00
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 116651849
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
N-methyl-5-nitro-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]furan-2-carboxamide
CID 129374578
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
CID 96567467
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
CID 60801053

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide (CID 116651623) is N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide is CN(C(=O)c1ccc([N+](=O)[O-])o1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is PNCCRKKQAGZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(8(6-12)7-2-3-7)11(15)9-4-5-10(18-9)14(16)17/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 116651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).