1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea

C19H23N3O2 — CID 99836325

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
SMILESCCCNc1ccc(CNC(=O)Nc2ccc3c(c2)COC3)cc1
InChIInChI=1S/C19H23N3O2/c1-2-9-20-17-6-3-14(4-7-17)11-21-19(23)22-18-8-5-15-12-24-13-16(15)10-18/h3-8,10,20H,2,9,11-13H2,1H3,(H2,21,22,23)
InChIKeyRRQCEPQEKCXQST-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea (PubChem CID 99836325) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
PubChem CID99836325
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
SMILESCCCNc1ccc(CNC(=O)Nc2ccc3c(c2)COC3)cc1
InChIInChI=1S/C19H23N3O2/c1-2-9-20-17-6-3-14(4-7-17)11-21-19(23)22-18-8-5-15-12-24-13-16(15)10-18/h3-8,10,20H,2,9,11-13H2,1H3,(H2,21,22,23)
InChIKeyRRQCEPQEKCXQST-UHFFFAOYSA-N
XLogP3.86
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17249590
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
CID 99839643
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(6,6-dimethoxy-2,2-dimethylhexyl)urea
CID 100767604
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]urea
CID 72852947
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119039707
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72907827
1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea
CID 128905769
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
CID 30886416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea (CID 99836325) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea is CCCNc1ccc(CNC(=O)Nc2ccc3c(c2)COC3)cc1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea?
The InChIKey is RRQCEPQEKCXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-9-20-17-6-3-14(4-7-17)11-21-19(23)22-18-8-5-15-12-24-13-16(15)10-18/h3-8,10,20H,2,9,11-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea is sourced from PubChem (CID 99836325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).