1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea

C22H29N3O3 — CID 42695927

IUPAC1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1CN(CCN1CCOCC1)C(=O)Nc1ccccc1C
InChIInChI=1S/C22H29N3O3/c1-18-7-3-5-9-20(18)23-22(26)25(12-11-24-13-15-28-16-14-24)17-19-8-4-6-10-21(19)27-2/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyOPBTUNRGJNTVHB-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.37
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea

1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 42695927) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID42695927
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1CN(CCN1CCOCC1)C(=O)Nc1ccccc1C
InChIInChI=1S/C22H29N3O3/c1-18-7-3-5-9-20(18)23-22(26)25(12-11-24-13-15-28-16-14-24)17-19-8-4-6-10-21(19)27-2/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyOPBTUNRGJNTVHB-UHFFFAOYSA-N
XLogP3.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
3-(2-chloro-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 5112436
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4622864
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3194886
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42701638
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3194535
2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-[2-(4-methylphenoxy)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20737947
3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(4-nitrophenyl)methyl]urea
CID 42701726

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 42695927) is 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea is COc1ccccc1CN(CCN1CCOCC1)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is OPBTUNRGJNTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-18-7-3-5-9-20(18)23-22(26)25(12-11-24-13-15-28-16-14-24)17-19-8-4-6-10-21(19)27-2/h3-10H,11-17H2,1-2H3,(H,23,26).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 383.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 42695927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).