1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea

C31H40N4O3 — CID 10142589

IUPAC1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea
SMILESCNCCCN(C)CC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C31H40N4O3/c1-32-20-10-21-34(2)23-28(36)24-35(31(37)33-27-15-17-29(38-3)18-16-27)22-19-30(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,30,32H,10,19-24H2,1-3H3,(H,33,37)
InChIKeyNGHVCGOGGYVYEN-UHFFFAOYSA-N
MW516.69 g/mol
LogP4.86
Rot. Bonds15

About 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea

1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea (PubChem CID 10142589) has the molecular formula C31H40N4O3 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea
PubChem CID10142589
Molecular FormulaC31H40N4O3
Molecular Weight516.69 g/mol
Exact Mass516.31
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea
SMILESCNCCCN(C)CC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C31H40N4O3/c1-32-20-10-21-34(2)23-28(36)24-35(31(37)33-27-15-17-29(38-3)18-16-27)22-19-30(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,30,32H,10,19-24H2,1-3H3,(H,33,37)
InChIKeyNGHVCGOGGYVYEN-UHFFFAOYSA-N
XLogP4.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea with MolForge

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Related Compounds

methyl 3-[[3,3-diphenylpropyl-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]prop-2-enyl]carbamoyl]amino]benzoate
CID 69028843
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea (CID 10142589) is 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea is CNCCCN(C)CC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea?
The InChIKey is NGHVCGOGGYVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O3/c1-32-20-10-21-34(2)23-28(36)24-35(31(37)33-27-15-17-29(38-3)18-16-27)22-19-30(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,30,32H,10,19-24H2,1-3H3,(H,33,37).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea?
1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea has a molecular weight of 516.69 g/mol, XLogP of 4.86, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-[3-[methyl-[3-(methylamino)propyl]amino]-2-oxopropyl]urea is sourced from PubChem (CID 10142589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).