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

C22H28ClN3O2 — CID 51935301

IUPAC1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H28ClN3O2/c1-17(18-7-9-21(23)10-8-18)25(2)22(27)24-15-19-5-3-4-6-20(19)16-26-11-13-28-14-12-26/h3-10,17H,11-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyYOVCJVZPZUIJFN-QGZVFWFLSA-N
MW401.94 g/mol
LogP4.07
Rot. Bonds6

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

1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 51935301) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID51935301
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H28ClN3O2/c1-17(18-7-9-21(23)10-8-18)25(2)22(27)24-15-19-5-3-4-6-20(19)16-26-11-13-28-14-12-26/h3-10,17H,11-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyYOVCJVZPZUIJFN-QGZVFWFLSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 51935301) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is YOVCJVZPZUIJFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-17(18-7-9-21(23)10-8-18)25(2)22(27)24-15-19-5-3-4-6-20(19)16-26-11-13-28-14-12-26/h3-10,17H,11-16H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 401.94 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 51935301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).