3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

C25H34N4O3 — CID 10203525

IUPAC3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H34N4O3/c1-20(18-28-15-12-26-13-16-28)19-29(14-11-21-7-9-23(31-2)10-8-21)25(30)27-22-5-4-6-24(17-22)32-3/h4-10,17,26H,1,11-16,18-19H2,2-3H3,(H,27,30)
InChIKeySZOOYBLNUNDOPK-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.24
Rot. Bonds10

About 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (PubChem CID 10203525) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
PubChem CID10203525
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H34N4O3/c1-20(18-28-15-12-26-13-16-28)19-29(14-11-21-7-9-23(31-2)10-8-21)25(30)27-22-5-4-6-24(17-22)32-3/h4-10,17,26H,1,11-16,18-19H2,2-3H3,(H,27,30)
InChIKeySZOOYBLNUNDOPK-UHFFFAOYSA-N
XLogP3.24
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10277770
methyl 3-[[2-[2-(3-methylphenyl)ethylamino]ethyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate
CID 10300247
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
1-(anthracen-9-ylmethyl)-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3297746
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
1-[(9-ethylcarbazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3673901
3-(2-phenylethyl)-1-[(3-phenylphenyl)methyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 69028802
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The IUPAC name of 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (CID 10203525) is 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is C=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The InChIKey is SZOOYBLNUNDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-20(18-28-15-12-26-13-16-28)19-29(14-11-21-7-9-23(31-2)10-8-21)25(30)27-22-5-4-6-24(17-22)32-3/h4-10,17,26H,1,11-16,18-19H2,2-3H3,(H,27,30).
What are the key properties of 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea has a molecular weight of 438.57 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is sourced from PubChem (CID 10203525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).