methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate

C22H18N2O4 — CID 71893111

IUPACmethyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H18N2O4/c1-27-22(26)24-15-12-10-14(11-13-15)23-21(25)20-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)20/h2-13,20H,1H3,(H,23,25)(H,24,26)
InChIKeyIQBYGHGCGPCXQF-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.74
Rot. Bonds3

About methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate

methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate (PubChem CID 71893111) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
PubChem CID71893111
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Namemethyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C22H18N2O4/c1-27-22(26)24-15-12-10-14(11-13-15)23-21(25)20-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)20/h2-13,20H,1H3,(H,23,25)(H,24,26)
InChIKeyIQBYGHGCGPCXQF-UHFFFAOYSA-N
XLogP4.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate (CID 71893111) is methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate?
The InChIKey is IQBYGHGCGPCXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-22(26)24-15-12-10-14(11-13-15)23-21(25)20-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)20/h2-13,20H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate?
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate has a molecular weight of 374.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 71893111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).