1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C18H22N2O3 — CID 97319276

IUPAC1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@@H](c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C18H22N2O3/c21-11-18(7-8-18)10-19-17(22)20-16(12-5-6-12)15-9-13-3-1-2-4-14(13)23-15/h1-4,9,12,16,21H,5-8,10-11H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyUYRVJCYDQRFSQJ-MRXNPFEDSA-N
MW314.38 g/mol
LogP2.96
Rot. Bonds6

About 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 97319276) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID97319276
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@@H](c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C18H22N2O3/c21-11-18(7-8-18)10-19-17(22)20-16(12-5-6-12)15-9-13-3-1-2-4-14(13)23-15/h1-4,9,12,16,21H,5-8,10-11H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyUYRVJCYDQRFSQJ-MRXNPFEDSA-N
XLogP2.96
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
(2R)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-methylsulfonylpropanamide
CID 96532979
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
N-[1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 75375667
(4S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 95908740
(5S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97223420
[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol
CID 110013429
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
5-[[[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236058
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021412
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 97319276) is 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCC1(CO)CC1)N[C@@H](c1cc2ccccc2o1)C1CC1.
What is the InChIKey of 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is UYRVJCYDQRFSQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-11-18(7-8-18)10-19-17(22)20-16(12-5-6-12)15-9-13-3-1-2-4-14(13)23-15/h1-4,9,12,16,21H,5-8,10-11H2,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 314.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 97319276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).