[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate

C16H23N3O4 — CID 2929630

IUPAC[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O4/c1-3-18(4-2)16(21)23-14-7-5-13(6-8-14)17-15(20)19-9-11-22-12-10-19/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyFMMBHMAMJACAJL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.39
Rot. Bonds4

About [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate

[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate (PubChem CID 2929630) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate
PubChem CID2929630
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O4/c1-3-18(4-2)16(21)23-14-7-5-13(6-8-14)17-15(20)19-9-11-22-12-10-19/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyFMMBHMAMJACAJL-UHFFFAOYSA-N
XLogP2.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate (CID 2929630) is [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate?
The InChIKey is FMMBHMAMJACAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-18(4-2)16(21)23-14-7-5-13(6-8-14)17-15(20)19-9-11-22-12-10-19/h5-8H,3-4,9-12H2,1-2H3,(H,17,20).
What are the key properties of [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate?
[4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate has a molecular weight of 321.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonylamino)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 2929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).