1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea

C17H26N2O3 — CID 97055346

IUPAC1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
SMILESCCN(C)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1
InChIInChI=1S/C17H26N2O3/c1-4-19(3)17(20)18-10-15-6-5-13(2)9-16(15)22-12-14-7-8-21-11-14/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyJTAIMMPPBVCLPF-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds6

About 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea

1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea (PubChem CID 97055346) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
PubChem CID97055346
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
SMILESCCN(C)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1
InChIInChI=1S/C17H26N2O3/c1-4-19(3)17(20)18-10-15-6-5-13(2)9-16(15)22-12-14-7-8-21-11-14/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyJTAIMMPPBVCLPF-AWEZNQCLSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea with MolForge

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Related Compounds

6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 166205715
3-[(2-ethoxy-4-methylphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122006121
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971572
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea (CID 97055346) is 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea is CCN(C)C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1.
What is the InChIKey of 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea?
The InChIKey is JTAIMMPPBVCLPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-19(3)17(20)18-10-15-6-5-13(2)9-16(15)22-12-14-7-8-21-11-14/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea?
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea is sourced from PubChem (CID 97055346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).