1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

C20H32N4O3 — CID 42696645

IUPAC1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCCCNC(=O)NC(C)C(=O)N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C20H32N4O3/c1-4-6-11-21-20(26)22-16(3)19(25)24-14-12-23(13-15-24)17-9-7-8-10-18(17)27-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H2,21,22,26)
InChIKeyWWKQFURTEOKLLL-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.22
Rot. Bonds8

About 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 42696645) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID42696645
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCCCNC(=O)NC(C)C(=O)N1CCN(c2ccccc2OCC)CC1
InChIInChI=1S/C20H32N4O3/c1-4-6-11-21-20(26)22-16(3)19(25)24-14-12-23(13-15-24)17-9-7-8-10-18(17)27-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H2,21,22,26)
InChIKeyWWKQFURTEOKLLL-UHFFFAOYSA-N
XLogP2.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 9068973
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 42696645) is 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is CCCCNC(=O)NC(C)C(=O)N1CCN(c2ccccc2OCC)CC1.
What is the InChIKey of 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is WWKQFURTEOKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-6-11-21-20(26)22-16(3)19(25)24-14-12-23(13-15-24)17-9-7-8-10-18(17)27-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 376.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 42696645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).