N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide

C17H18N2O5 — CID 60576427

IUPACN-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C(C)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-11(15-4-3-9-24-15)18(13-6-7-13)17(20)12-5-8-16(23-2)14(10-12)19(21)22/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyGJNKDTGZOZDCOP-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.56
Rot. Bonds6

About N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide

N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide (PubChem CID 60576427) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
PubChem CID60576427
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C(C)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-11(15-4-3-9-24-15)18(13-6-7-13)17(20)12-5-8-16(23-2)14(10-12)19(21)22/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyGJNKDTGZOZDCOP-UHFFFAOYSA-N
XLogP3.56
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
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-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417029
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 7381956
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide
CID 60576725
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
N-(2,2-dimethoxyethyl)-4-methoxy-N-methyl-3-nitrobenzamide
CID 3347194
2-[cyclopropyl-(3-hydroxy-4-nitrobenzoyl)amino]propanoic acid
CID 122067377
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7353856
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide (CID 60576427) is N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)N(C2CC2)C(C)c2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is GJNKDTGZOZDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(15-4-3-9-24-15)18(13-6-7-13)17(20)12-5-8-16(23-2)14(10-12)19(21)22/h3-5,8-11,13H,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide?
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 60576427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).