1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea

C20H25N3O3 — CID 51579370

IUPAC1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-20(24)21-13-17-15-23(11-12-26-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyRVTRQOYOHFGIMY-QGZVFWFLSA-N
MW355.44 g/mol
LogP2.72
Rot. Bonds6

About 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea

1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea (PubChem CID 51579370) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
PubChem CID51579370
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-20(24)21-13-17-15-23(11-12-26-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24)/t17-/m1/s1
InChIKeyRVTRQOYOHFGIMY-QGZVFWFLSA-N
XLogP2.72
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600735
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea (CID 51579370) is 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is RVTRQOYOHFGIMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-19-10-6-5-9-18(19)22-20(24)21-13-17-15-23(11-12-26-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24)/t17-/m1/s1.
What are the key properties of 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea?
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 355.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 51579370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).