1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea

C24H28N2O3 — CID 31964425

IUPAC1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCc1ccco1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-24(25-15-8-17-28-19-22-13-7-18-29-22)26-16-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-13,18,23H,8,14-17,19H2,(H2,25,26,27)
InChIKeyMCIYVANQWDDCKP-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.71
Rot. Bonds11

About 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea

1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea (PubChem CID 31964425) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
PubChem CID31964425
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCc1ccco1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-24(25-15-8-17-28-19-22-13-7-18-29-22)26-16-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-13,18,23H,8,14-17,19H2,(H2,25,26,27)
InChIKeyMCIYVANQWDDCKP-UHFFFAOYSA-N
XLogP4.71
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 55694215
1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86994306
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea (CID 31964425) is 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea is O=C(NCCCOCc1ccco1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The InChIKey is MCIYVANQWDDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-24(25-15-8-17-28-19-22-13-7-18-29-22)26-16-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-13,18,23H,8,14-17,19H2,(H2,25,26,27).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea has a molecular weight of 392.50 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea is sourced from PubChem (CID 31964425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).