butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate

C16H22N2O4 — CID 2175702

IUPACbutyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O4/c1-2-3-10-22-16(20)17-14-7-5-4-6-13(14)15(19)18-8-11-21-12-9-18/h4-7H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyRGHSQYUXGNSHJG-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.51
Rot. Bonds5

About butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate

butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate (PubChem CID 2175702) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
PubChem CID2175702
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebutyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
SMILESCCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O4/c1-2-3-10-22-16(20)17-14-7-5-4-6-13(14)15(19)18-8-11-21-12-9-18/h4-7H,2-3,8-12H2,1H3,(H,17,20)
InChIKeyRGHSQYUXGNSHJG-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate?
The IUPAC name of butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate (CID 2175702) is butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate.
What is the SMILES notation for butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate?
The canonical SMILES for butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate is CCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate?
The InChIKey is RGHSQYUXGNSHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-3-10-22-16(20)17-14-7-5-4-6-13(14)15(19)18-8-11-21-12-9-18/h4-7H,2-3,8-12H2,1H3,(H,17,20).
What are the key properties of butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate?
butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate is sourced from PubChem (CID 2175702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).