3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea

C19H28ClN3O3 — CID 90607460

IUPAC3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H28ClN3O3/c20-17-3-1-16(2-4-17)15-21-19(24)23(18-5-11-25-12-6-18)8-7-22-9-13-26-14-10-22/h1-4,18H,5-15H2,(H,21,24)
InChIKeyXYZGVIRVOJTLEM-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.36
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea

3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea (PubChem CID 90607460) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea
PubChem CID90607460
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H28ClN3O3/c20-17-3-1-16(2-4-17)15-21-19(24)23(18-5-11-25-12-6-18)8-7-22-9-13-26-14-10-22/h1-4,18H,5-15H2,(H,21,24)
InChIKeyXYZGVIRVOJTLEM-UHFFFAOYSA-N
XLogP2.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614
4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
CID 90607266
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
1-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylbut-2-ynyl)urea
CID 71792728
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-[(4-chlorophenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111130958
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea (CID 90607460) is 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea is O=C(NCc1ccc(Cl)cc1)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea?
The InChIKey is XYZGVIRVOJTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c20-17-3-1-16(2-4-17)15-21-19(24)23(18-5-11-25-12-6-18)8-7-22-9-13-26-14-10-22/h1-4,18H,5-15H2,(H,21,24).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea?
3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea has a molecular weight of 381.90 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea is sourced from PubChem (CID 90607460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).