1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea

C18H26N2O2 — CID 134006680

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCC(NC(=O)NCC1(c2ccccc2)CCC1)C1CCCO1
InChIInChI=1S/C18H26N2O2/c1-14(16-9-5-12-22-16)20-17(21)19-13-18(10-6-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,19,20,21)
InChIKeyKQBJNAHARAMLAZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.97
Rot. Bonds5

About 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea

1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 134006680) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID134006680
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCC(NC(=O)NCC1(c2ccccc2)CCC1)C1CCCO1
InChIInChI=1S/C18H26N2O2/c1-14(16-9-5-12-22-16)20-17(21)19-13-18(10-6-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,19,20,21)
InChIKeyKQBJNAHARAMLAZ-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 110893460
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086235
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086236
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223623
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea (CID 134006680) is 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea is CC(NC(=O)NCC1(c2ccccc2)CCC1)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is KQBJNAHARAMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(16-9-5-12-22-16)20-17(21)19-13-18(10-6-11-18)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea?
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 302.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 134006680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).