1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

C30H36N4O2 — CID 10277770

IUPAC1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C30H36N4O2/c1-24(21-33-18-16-31-17-19-33)22-34(30(35)32-27-14-9-15-28(20-27)36-2)23-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,20,29,31H,1,16-19,21-23H2,2H3,(H,32,35)
InChIKeyWFWHCMUBCNKSBW-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.82
Rot. Bonds10

About 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea

1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (PubChem CID 10277770) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
PubChem CID10277770
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
SMILESC=C(CN1CCNCC1)CN(CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C30H36N4O2/c1-24(21-33-18-16-31-17-19-33)22-34(30(35)32-27-14-9-15-28(20-27)36-2)23-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,20,29,31H,1,16-19,21-23H2,2H3,(H,32,35)
InChIKeyWFWHCMUBCNKSBW-UHFFFAOYSA-N
XLogP4.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10203525
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
3-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea
CID 10208034
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
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
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 95772319
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The IUPAC name of 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea (CID 10277770) is 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea.
What is the SMILES notation for 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The canonical SMILES for 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is C=C(CN1CCNCC1)CN(CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
The InChIKey is WFWHCMUBCNKSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-24(21-33-18-16-31-17-19-33)22-34(30(35)32-27-14-9-15-28(20-27)36-2)23-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,20,29,31H,1,16-19,21-23H2,2H3,(H,32,35).
What are the key properties of 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea?
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea has a molecular weight of 484.64 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)-1-[2-(piperazin-1-ylmethyl)prop-2-enyl]urea is sourced from PubChem (CID 10277770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).