2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide

C17H22N4O4 — CID 7826091

IUPAC2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C17H22N4O4/c1-19(2)14-8-7-12(21(23)24)10-13(14)17(22)18-11-15(20(3)4)16-6-5-9-25-16/h5-10,15H,11H2,1-4H3,(H,18,22)/t15-/m1/s1
InChIKeyRPYAEYUCDCYFCO-OAHLLOKOSA-N
MW346.39 g/mol
LogP2.29
Rot. Bonds7

About 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide

2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide (PubChem CID 7826091) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
PubChem CID7826091
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C17H22N4O4/c1-19(2)14-8-7-12(21(23)24)10-13(14)17(22)18-11-15(20(3)4)16-6-5-9-25-16/h5-10,15H,11H2,1-4H3,(H,18,22)/t15-/m1/s1
InChIKeyRPYAEYUCDCYFCO-OAHLLOKOSA-N
XLogP2.29
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-nitrobenzamide
CID 111520203
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
CID 42997705
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55683724
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55457788
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174996
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide (CID 7826091) is 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide?
The InChIKey is RPYAEYUCDCYFCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-19(2)14-8-7-12(21(23)24)10-13(14)17(22)18-11-15(20(3)4)16-6-5-9-25-16/h5-10,15H,11H2,1-4H3,(H,18,22)/t15-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide?
2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide has a molecular weight of 346.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 7826091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).