3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea

C15H20N2O2 — CID 94867438

IUPAC3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-17(9-11(2)3)15(18)16-13-10-19-14-8-6-5-7-12(13)14/h5-8,13H,2,4,9-10H2,1,3H3,(H,16,18)/t13-/m0/s1
InChIKeyWPPCWPGHAWAIIZ-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds4

About 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea

3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea (PubChem CID 94867438) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
PubChem CID94867438
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@H]1COc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-17(9-11(2)3)15(18)16-13-10-19-14-8-6-5-7-12(13)14/h5-8,13H,2,4,9-10H2,1,3H3,(H,16,18)/t13-/m0/s1
InChIKeyWPPCWPGHAWAIIZ-ZDUSSCGKSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methylprop-2-enyl)guanidine
CID 110050354
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 97016848
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
CID 114472320
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
CID 62366625
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981686
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea (CID 94867438) is 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)N[C@H]1COc2ccccc21.
What is the InChIKey of 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is WPPCWPGHAWAIIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17(9-11(2)3)15(18)16-13-10-19-14-8-6-5-7-12(13)14/h5-8,13H,2,4,9-10H2,1,3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 260.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 94867438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).