(4-morpholin-2-yl-2-phenylphenyl) carbamate

C17H18N2O3 — CID 174693399

IUPAC(4-morpholin-2-yl-2-phenylphenyl) carbamate
SMILESNC(=O)Oc1ccc(C2CNCCO2)cc1-c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-17(20)22-15-7-6-13(16-11-19-8-9-21-16)10-14(15)12-4-2-1-3-5-12/h1-7,10,16,19H,8-9,11H2,(H2,18,20)
InChIKeyKAAIKLNCYHEJLJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.47
Rot. Bonds3

About (4-morpholin-2-yl-2-phenylphenyl) carbamate

(4-morpholin-2-yl-2-phenylphenyl) carbamate (PubChem CID 174693399) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-morpholin-2-yl-2-phenylphenyl) carbamate.

Molecular Properties

Compound Name(4-morpholin-2-yl-2-phenylphenyl) carbamate
PubChem CID174693399
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(4-morpholin-2-yl-2-phenylphenyl) carbamate
SMILESNC(=O)Oc1ccc(C2CNCCO2)cc1-c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-17(20)22-15-7-6-13(16-11-19-8-9-21-16)10-14(15)12-4-2-1-3-5-12/h1-7,10,16,19H,8-9,11H2,(H2,18,20)
InChIKeyKAAIKLNCYHEJLJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-2-yl-2-phenylphenyl) carbamate?
The IUPAC name of (4-morpholin-2-yl-2-phenylphenyl) carbamate (CID 174693399) is (4-morpholin-2-yl-2-phenylphenyl) carbamate.
What is the SMILES notation for (4-morpholin-2-yl-2-phenylphenyl) carbamate?
The canonical SMILES for (4-morpholin-2-yl-2-phenylphenyl) carbamate is NC(=O)Oc1ccc(C2CNCCO2)cc1-c1ccccc1.
What is the InChIKey of (4-morpholin-2-yl-2-phenylphenyl) carbamate?
The InChIKey is KAAIKLNCYHEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-17(20)22-15-7-6-13(16-11-19-8-9-21-16)10-14(15)12-4-2-1-3-5-12/h1-7,10,16,19H,8-9,11H2,(H2,18,20).
What are the key properties of (4-morpholin-2-yl-2-phenylphenyl) carbamate?
(4-morpholin-2-yl-2-phenylphenyl) carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-2-yl-2-phenylphenyl) carbamate is sourced from PubChem (CID 174693399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).