[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate

C19H20N2O4 — CID 174664478

IUPAC[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(-c2ccc(N3CCOCC3)c(C=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c20-19(23)25-13-14-1-3-15(4-2-14)16-5-6-18(17(11-16)12-22)21-7-9-24-10-8-21/h1-6,11-12H,7-10,13H2,(H2,20,23)
InChIKeySQNBMAGLMDSENY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds5

About [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate

[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate (PubChem CID 174664478) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
PubChem CID174664478
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
SMILESNC(=O)OCc1ccc(-c2ccc(N3CCOCC3)c(C=O)c2)cc1
InChIInChI=1S/C19H20N2O4/c20-19(23)25-13-14-1-3-15(4-2-14)16-5-6-18(17(11-16)12-22)21-7-9-24-10-8-21/h1-6,11-12H,7-10,13H2,(H2,20,23)
InChIKeySQNBMAGLMDSENY-UHFFFAOYSA-N
XLogP2.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate?
The IUPAC name of [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate (CID 174664478) is [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate.
What is the SMILES notation for [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate?
The canonical SMILES for [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate is NC(=O)OCc1ccc(-c2ccc(N3CCOCC3)c(C=O)c2)cc1.
What is the InChIKey of [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate?
The InChIKey is SQNBMAGLMDSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-19(23)25-13-14-1-3-15(4-2-14)16-5-6-18(17(11-16)12-22)21-7-9-24-10-8-21/h1-6,11-12H,7-10,13H2,(H2,20,23).
What are the key properties of [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate?
[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate has a molecular weight of 340.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate is sourced from PubChem (CID 174664478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).