1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea

C17H24N2O2 — CID 154765265

IUPAC1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2CC1)N[C@@H]1CCOC1
InChIInChI=1S/C17H24N2O2/c20-17(19-16-9-10-21-12-16)18-11-13-5-7-14-3-1-2-4-15(14)8-6-13/h1-4,13,16H,5-12H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyONEGVVBHFQHWCO-MRXNPFEDSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds3

About 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea

1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea (PubChem CID 154765265) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
PubChem CID154765265
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2CC1)N[C@@H]1CCOC1
InChIInChI=1S/C17H24N2O2/c20-17(19-16-9-10-21-12-16)18-11-13-5-7-14-3-1-2-4-15(14)8-6-13/h1-4,13,16H,5-12H2,(H2,18,19,20)/t16-/m1/s1
InChIKeyONEGVVBHFQHWCO-MRXNPFEDSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea with MolForge

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Related Compounds

1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
1-[3-(4-chlorophenyl)cyclobutyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 166369650
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321834
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea?
The IUPAC name of 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea (CID 154765265) is 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea is O=C(NCC1CCc2ccccc2CC1)N[C@@H]1CCOC1.
What is the InChIKey of 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea?
The InChIKey is ONEGVVBHFQHWCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(19-16-9-10-21-12-16)18-11-13-5-7-14-3-1-2-4-15(14)8-6-13/h1-4,13,16H,5-12H2,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea?
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea is sourced from PubChem (CID 154765265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).