1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea

C21H25N3O3 — CID 118770631

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CN1CCOCC1)NC1COc2ccccc2C1
InChIInChI=1S/C21H25N3O3/c25-21(22-18-13-16-5-2-4-8-20(16)27-15-18)23-19-7-3-1-6-17(19)14-24-9-11-26-12-10-24/h1-8,18H,9-15H2,(H2,22,23,25)
InChIKeyXJRGUYYYPGJSDZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.64
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea

1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea (PubChem CID 118770631) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
PubChem CID118770631
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CN1CCOCC1)NC1COc2ccccc2C1
InChIInChI=1S/C21H25N3O3/c25-21(22-18-13-16-5-2-4-8-20(16)27-15-18)23-19-7-3-1-6-17(19)14-24-9-11-26-12-10-24/h1-8,18H,9-15H2,(H2,22,23,25)
InChIKeyXJRGUYYYPGJSDZ-UHFFFAOYSA-N
XLogP2.64
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea (CID 118770631) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea is O=C(Nc1ccccc1CN1CCOCC1)NC1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
The InChIKey is XJRGUYYYPGJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(22-18-13-16-5-2-4-8-20(16)27-15-18)23-19-7-3-1-6-17(19)14-24-9-11-26-12-10-24/h1-8,18H,9-15H2,(H2,22,23,25).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea?
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea has a molecular weight of 367.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 118770631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).