1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea

C14H20ClN3O2 — CID 21398140

IUPAC1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea
SMILESCN(C)C(=O)N(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-16(2)14(19)18(11-17-7-9-20-10-8-17)13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyBVWYRPSSOOWQFP-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.12
Rot. Bonds3

About 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea

1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea (PubChem CID 21398140) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea
PubChem CID21398140
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea
SMILESCN(C)C(=O)N(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-16(2)14(19)18(11-17-7-9-20-10-8-17)13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3
InChIKeyBVWYRPSSOOWQFP-UHFFFAOYSA-N
XLogP2.12
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imepitoin
CID 3083511
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 3863406
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
[4-(4-Chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
CID 976980
N-(4-Chloro-phenyl)-3-morpholin-4-yl-propionamide
CID 24746939
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
Cambridge id 5628081
CID 234240
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
1-(4-Chlorophenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9882126

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea (CID 21398140) is 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea is CN(C)C(=O)N(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea?
The InChIKey is BVWYRPSSOOWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-16(2)14(19)18(11-17-7-9-20-10-8-17)13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea?
1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea has a molecular weight of 297.79 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-dimethyl-1-(morpholin-4-ylmethyl)urea is sourced from PubChem (CID 21398140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).