1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea

C15H18N4O4 — CID 134062767

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C15H18N4O4/c1-18(2)13(14-4-3-9-23-14)10-16-15(20)17-11-5-7-12(8-6-11)19(21)22/h3-9,13H,10H2,1-2H3,(H2,16,17,20)
InChIKeyYQKRWMFRKPTVOX-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea (PubChem CID 134062767) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
PubChem CID134062767
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
SMILESCN(C)C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C15H18N4O4/c1-18(2)13(14-4-3-9-23-14)10-16-15(20)17-11-5-7-12(8-6-11)19(21)22/h3-9,13H,10H2,1-2H3,(H2,16,17,20)
InChIKeyYQKRWMFRKPTVOX-UHFFFAOYSA-N
XLogP2.61
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174996
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
CID 7826091
1-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-(4-nitrophenyl)urea
CID 42944308
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea (CID 134062767) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea is CN(C)C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea?
The InChIKey is YQKRWMFRKPTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-18(2)13(14-4-3-9-23-14)10-16-15(20)17-11-5-7-12(8-6-11)19(21)22/h3-9,13H,10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea has a molecular weight of 318.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 134062767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).