1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C23H28N4O2 — CID 60543399

IUPAC1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-26(2)21(22-10-7-15-29-22)16-24-23(28)25-19-11-13-20(14-12-19)27(3)17-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3,(H2,24,25,28)
InChIKeyQFIGGLVZVZVFLV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.34
Rot. Bonds8

About 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 60543399) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID60543399
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-26(2)21(22-10-7-15-29-22)16-24-23(28)25-19-11-13-20(14-12-19)27(3)17-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3,(H2,24,25,28)
InChIKeyQFIGGLVZVZVFLV-UHFFFAOYSA-N
XLogP4.34
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 16875604
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 95786580
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 60543399) is 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CN(Cc1ccccc1)c1ccc(NC(=O)NCC(c2ccco2)N(C)C)cc1.
What is the InChIKey of 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is QFIGGLVZVZVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)21(22-10-7-15-29-22)16-24-23(28)25-19-11-13-20(14-12-19)27(3)17-18-8-5-4-6-9-18/h4-15,21H,16-17H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 392.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 60543399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).