4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide

C18H22N4O4 — CID 24542647

IUPAC4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C18H22N4O4/c1-21(2)16(17-4-3-9-26-17)11-19-18(23)12-5-8-14(20-13-6-7-13)15(10-12)22(24)25/h3-5,8-10,13,16,20H,6-7,11H2,1-2H3,(H,19,23)
InChIKeySONUIFGABQUIRO-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.79
Rot. Bonds8

About 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide

4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide (PubChem CID 24542647) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide
PubChem CID24542647
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide
SMILESCN(C)C(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C18H22N4O4/c1-21(2)16(17-4-3-9-26-17)11-19-18(23)12-5-8-14(20-13-6-7-13)15(10-12)22(24)25/h3-5,8-10,13,16,20H,6-7,11H2,1-2H3,(H,19,23)
InChIKeySONUIFGABQUIRO-UHFFFAOYSA-N
XLogP2.79
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(cyclopropylamino)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-nitrobenzamide
CID 25414595
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 43003475
4-(cyclopropylamino)-N-[2-(diethylamino)-2-phenylethyl]-3-nitrobenzamide
CID 24659100
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-4-phenylsulfanylbenzamide
CID 2452602
4-(cyclopropylamino)-N-(furan-2-ylmethyl)-N-methyl-3-nitrobenzamide
CID 27739515
4-(cyclopropylamino)-3-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 9153979
N-(3-amino-2-methylpropyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 119995566
4-(cyclopropylamino)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-nitrobenzamide
CID 9141880
4-(cyclopropylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide
CID 33262710
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
4-(cyclopropylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-nitrobenzamide
CID 111441471

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide (CID 24542647) is 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide is CN(C)C(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide?
The InChIKey is SONUIFGABQUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21(2)16(17-4-3-9-26-17)11-19-18(23)12-5-8-14(20-13-6-7-13)15(10-12)22(24)25/h3-5,8-10,13,16,20H,6-7,11H2,1-2H3,(H,19,23).
What are the key properties of 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide?
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide has a molecular weight of 358.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 24542647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).