1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea

C20H28N4O2 — CID 86886356

IUPAC1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
SMILESCC(NC(=O)NC(CN1CCN(C)CC1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H28N4O2/c1-16(19-9-6-14-26-19)21-20(25)22-18(17-7-4-3-5-8-17)15-24-12-10-23(2)11-13-24/h3-9,14,16,18H,10-13,15H2,1-2H3,(H2,21,22,25)
InChIKeyRECQOQKXFKDTHU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.63
Rot. Bonds6

About 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea

1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea (PubChem CID 86886356) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
PubChem CID86886356
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
SMILESCC(NC(=O)NC(CN1CCN(C)CC1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H28N4O2/c1-16(19-9-6-14-26-19)21-20(25)22-18(17-7-4-3-5-8-17)15-24-12-10-23(2)11-13-24/h3-9,14,16,18H,10-13,15H2,1-2H3,(H2,21,22,25)
InChIKeyRECQOQKXFKDTHU-UHFFFAOYSA-N
XLogP2.63
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-phenylbutyl)-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886133
1-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 86898935
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea (CID 86886356) is 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea is CC(NC(=O)NC(CN1CCN(C)CC1)c1ccccc1)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea?
The InChIKey is RECQOQKXFKDTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16(19-9-6-14-26-19)21-20(25)22-18(17-7-4-3-5-8-17)15-24-12-10-23(2)11-13-24/h3-9,14,16,18H,10-13,15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea?
1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea is sourced from PubChem (CID 86886356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).