1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea

C19H32N4O2 — CID 38276458

IUPAC1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN1CCN(CCCCNC(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-22-12-14-23(15-13-22)11-5-4-10-20-19(24)21-16-17-6-8-18(25-2)9-7-17/h6-9H,3-5,10-16H2,1-2H3,(H2,20,21,24)
InChIKeyAVVDWMIOICASKW-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.91
Rot. Bonds9

About 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea

1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 38276458) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID38276458
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN1CCN(CCCCNC(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-22-12-14-23(15-13-22)11-5-4-10-20-19(24)21-16-17-6-8-18(25-2)9-7-17/h6-9H,3-5,10-16H2,1-2H3,(H2,20,21,24)
InChIKeyAVVDWMIOICASKW-UHFFFAOYSA-N
XLogP1.91
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.91
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-methoxyphenyl)methyl]-3-propylurea
CID 41355184
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111181781
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea (CID 38276458) is 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea is CCN1CCN(CCCCNC(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is AVVDWMIOICASKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-22-12-14-23(15-13-22)11-5-4-10-20-19(24)21-16-17-6-8-18(25-2)9-7-17/h6-9H,3-5,10-16H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 348.49 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38276458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).