1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea

C21H29N3O2 — CID 3438105

IUPAC1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCN(C)C(=O)N(CCCN1CCOCC1)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-22(2)21(25)24(12-6-11-23-13-15-26-16-14-23)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-5,7-10H,6,11-17H2,1-2H3
InChIKeyVEMRWNJNCOGHAG-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.05
Rot. Bonds6

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

1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 3438105) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID3438105
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCN(C)C(=O)N(CCCN1CCOCC1)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-22(2)21(25)24(12-6-11-23-13-15-26-16-14-23)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-5,7-10H,6,11-17H2,1-2H3
InChIKeyVEMRWNJNCOGHAG-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (CID 3438105) is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea is CN(C)C(=O)N(CCCN1CCOCC1)Cc1cccc2ccccc12.
What is the InChIKey of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is VEMRWNJNCOGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22(2)21(25)24(12-6-11-23-13-15-26-16-14-23)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-5,7-10H,6,11-17H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 355.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 3438105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).