N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide

C23H23N3O4 — CID 33216162

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1
InChIInChI=1S/C23H23N3O4/c27-23(24-20-9-10-20)19-7-3-17(4-8-19)14-25(16-22-2-1-13-30-22)15-18-5-11-21(12-6-18)26(28)29/h1-8,11-13,20H,9-10,14-16H2,(H,24,27)
InChIKeyYJEOCHNBDBKUAP-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.28
Rot. Bonds9

About N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide (PubChem CID 33216162) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
PubChem CID33216162
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1
InChIInChI=1S/C23H23N3O4/c27-23(24-20-9-10-20)19-7-3-17(4-8-19)14-25(16-22-2-1-13-30-22)15-18-5-11-21(12-6-18)26(28)29/h1-8,11-13,20H,9-10,14-16H2,(H,24,27)
InChIKeyYJEOCHNBDBKUAP-UHFFFAOYSA-N
XLogP4.28
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.28
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

4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-nitrobenzamide
CID 7441478
N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
CID 55591167

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide (CID 33216162) is N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide?
The InChIKey is YJEOCHNBDBKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-23(24-20-9-10-20)19-7-3-17(4-8-19)14-25(16-22-2-1-13-30-22)15-18-5-11-21(12-6-18)26(28)29/h1-8,11-13,20H,9-10,14-16H2,(H,24,27).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 33216162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).