3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea

C20H27N3O3 — CID 94147785

IUPAC3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESC[C@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O3/c1-15-11-23(12-16(2)26-15)13-17-7-4-5-9-19(17)21-20(24)22(3)14-18-8-6-10-25-18/h4-10,15-16H,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyCDTABBDMUZXIPL-HOTGVXAUSA-N
MW357.45 g/mol
LogP3.55
Rot. Bonds5

About 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea

3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 94147785) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID94147785
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESC[C@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O3/c1-15-11-23(12-16(2)26-15)13-17-7-4-5-9-19(17)21-20(24)22(3)14-18-8-6-10-25-18/h4-10,15-16H,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyCDTABBDMUZXIPL-HOTGVXAUSA-N
XLogP3.55
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea with MolForge

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Related Compounds

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea (CID 94147785) is 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea is C[C@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1.
What is the InChIKey of 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is CDTABBDMUZXIPL-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-11-23(12-16(2)26-15)13-17-7-4-5-9-19(17)21-20(24)22(3)14-18-8-6-10-25-18/h4-10,15-16H,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea?
3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 357.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 94147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).