1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea

C19H23N3O3 — CID 74245608

IUPAC1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)NCC1CNCCO1
InChIInChI=1S/C19H23N3O3/c1-24-18-8-7-15(14-5-3-2-4-6-14)11-17(18)22-19(23)21-13-16-12-20-9-10-25-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H2,21,22,23)
InChIKeyXLENAVGNCFBDTH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea

1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea (PubChem CID 74245608) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
PubChem CID74245608
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)NCC1CNCCO1
InChIInChI=1S/C19H23N3O3/c1-24-18-8-7-15(14-5-3-2-4-6-14)11-17(18)22-19(23)21-13-16-12-20-9-10-25-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H2,21,22,23)
InChIKeyXLENAVGNCFBDTH-UHFFFAOYSA-N
XLogP2.47
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66429390
1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
CID 2237740
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61315356
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
CID 91812706
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
CID 9438141
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea (CID 74245608) is 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea is COc1ccc(-c2ccccc2)cc1NC(=O)NCC1CNCCO1.
What is the InChIKey of 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea?
The InChIKey is XLENAVGNCFBDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-8-7-15(14-5-3-2-4-6-14)11-17(18)22-19(23)21-13-16-12-20-9-10-25-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea?
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea has a molecular weight of 341.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea is sourced from PubChem (CID 74245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).