1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea

C14H20N2O2 — CID 118767148

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
SMILESCCCC(C)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C14H20N2O2/c1-3-4-10(2)15-14(17)16-13-6-5-11-8-18-9-12(11)7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIWCQEKZWAJCZKK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.03
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea (PubChem CID 118767148) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
PubChem CID118767148
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
SMILESCCCC(C)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C14H20N2O2/c1-3-4-10(2)15-14(17)16-13-6-5-11-8-18-9-12(11)7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIWCQEKZWAJCZKK-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97157179
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183092
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 99836325
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 97157167
methyl N-[3-[[(2S)-pentan-2-yl]carbamoylamino]phenyl]carbamate
CID 94152562
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367
methyl 4-(pentan-2-ylcarbamoylamino)benzoate
CID 47039918
1-(3-methylsulfanylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928205
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
CID 115922539
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
CID 99839643

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea (CID 118767148) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea is CCCC(C)NC(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea?
The InChIKey is IWCQEKZWAJCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-10(2)15-14(17)16-13-6-5-11-8-18-9-12(11)7-13/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea has a molecular weight of 248.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea is sourced from PubChem (CID 118767148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).