1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C23H31N3O3 — CID 86914351

IUPAC1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-19-7-9-22(10-8-19)29-16-11-25(2)23(27)24-17-20-5-3-4-6-21(20)18-26-12-14-28-15-13-26/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyHWLLJYNCOIPABV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.05
Rot. Bonds8

About 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 86914351) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID86914351
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-19-7-9-22(10-8-19)29-16-11-25(2)23(27)24-17-20-5-3-4-6-21(20)18-26-12-14-28-15-13-26/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyHWLLJYNCOIPABV-UHFFFAOYSA-N
XLogP3.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24507691
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 86914351) is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is Cc1ccc(OCCN(C)C(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is HWLLJYNCOIPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-19-7-9-22(10-8-19)29-16-11-25(2)23(27)24-17-20-5-3-4-6-21(20)18-26-12-14-28-15-13-26/h3-10H,11-18H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 397.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86914351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).