N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide

C12H16N2O5 — CID 47117300

IUPACN-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H16N2O5/c15-12(10-4-5-11(19-10)14(16)17)13-6-1-7-18-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,13,15)
InChIKeyZXLYPNQEEAYYFM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.73
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide (PubChem CID 47117300) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
PubChem CID47117300
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H16N2O5/c15-12(10-4-5-11(19-10)14(16)17)13-6-1-7-18-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,13,15)
InChIKeyZXLYPNQEEAYYFM-UHFFFAOYSA-N
XLogP1.73
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide 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-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
4-[[(5-nitrofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525902
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[3-(cyclopropylmethoxy)propyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51222770
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-nitrofuran-2-carboxamide
CID 94121756
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
N-[2-(3-bromophenoxy)ethyl]-5-nitrofuran-2-carboxamide
CID 60549306

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide (CID 47117300) is N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide is O=C(NCCCOCC1CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide?
The InChIKey is ZXLYPNQEEAYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-12(10-4-5-11(19-10)14(16)17)13-6-1-7-18-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,13,15).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 47117300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).