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

C19H31N3O3 — CID 110302826

IUPAC1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
SMILESCOc1ccccc1C(CNC(=O)NCCC(C)C)N1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-15(2)8-9-20-19(23)21-14-17(22-10-12-25-13-11-22)16-6-4-5-7-18(16)24-3/h4-7,15,17H,8-14H2,1-3H3,(H2,20,21,23)
InChIKeyUDGCXXNQWXHRFG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.41
Rot. Bonds8

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

1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea (PubChem CID 110302826) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
PubChem CID110302826
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
SMILESCOc1ccccc1C(CNC(=O)NCCC(C)C)N1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-15(2)8-9-20-19(23)21-14-17(22-10-12-25-13-11-22)16-6-4-5-7-18(16)24-3/h4-7,15,17H,8-14H2,1-3H3,(H2,20,21,23)
InChIKeyUDGCXXNQWXHRFG-UHFFFAOYSA-N
XLogP2.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110622092
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622104
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
5-(furan-2-yl)-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea (CID 110302826) is 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea is COc1ccccc1C(CNC(=O)NCCC(C)C)N1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea?
The InChIKey is UDGCXXNQWXHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)8-9-20-19(23)21-14-17(22-10-12-25-13-11-22)16-6-4-5-7-18(16)24-3/h4-7,15,17H,8-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea?
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea has a molecular weight of 349.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 110302826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).