N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide

C18H20N2O4 — CID 31784519

IUPACN-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(2)14-5-3-13(4-6-14)11-19(15-7-8-15)18(21)16-9-10-17(24-16)20(22)23/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyRDKYOMJSRYMUMS-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.12
Rot. Bonds6

About N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide

N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 31784519) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
PubChem CID31784519
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(2)14-5-3-13(4-6-14)11-19(15-7-8-15)18(21)16-9-10-17(24-16)20(22)23/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyRDKYOMJSRYMUMS-UHFFFAOYSA-N
XLogP4.12
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopropyl-3-methyl-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 18200620
N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 17495591
5-[cyclopropyl-[(4-nitrophenyl)methyl]carbamoyl]furan-2-carboxylic acid
CID 120690672
N-cyclopropyl-3,4,5-trimethoxy-2-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 37007930
N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102871926
N-[(3S)-1,1-dioxothiolan-3-yl]-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7509760
N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
CID 60801053
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide (CID 31784519) is N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide is CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RDKYOMJSRYMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)14-5-3-13(4-6-14)11-19(15-7-8-15)18(21)16-9-10-17(24-16)20(22)23/h3-6,9-10,12,15H,7-8,11H2,1-2H3.
What are the key properties of N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 31784519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).