1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea

C19H22N2O2 — CID 129487413

IUPAC1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC[C@H]1COc2ccccc21
InChIInChI=1S/C19H22N2O2/c22-19(20-12-6-9-15-7-2-1-3-8-15)21-13-16-14-23-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,16H,6,9,12-14H2,(H2,20,21,22)/t16-/m0/s1
InChIKeyNUOMEEPHBQGYKB-INIZCTEOSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds6

About 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea

1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea (PubChem CID 129487413) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
PubChem CID129487413
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC[C@H]1COc2ccccc21
InChIInChI=1S/C19H22N2O2/c22-19(20-12-6-9-15-7-2-1-3-8-15)21-13-16-14-23-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,16H,6,9,12-14H2,(H2,20,21,22)/t16-/m0/s1
InChIKeyNUOMEEPHBQGYKB-INIZCTEOSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-phenylethyl)urea
CID 51290930
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
CID 110751057
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea (CID 129487413) is 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NC[C@H]1COc2ccccc21.
What is the InChIKey of 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea?
The InChIKey is NUOMEEPHBQGYKB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-12-6-9-15-7-2-1-3-8-15)21-13-16-14-23-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,16H,6,9,12-14H2,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea?
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 129487413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).