[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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Related Compounds

2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 145192081
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
CID 23005067
benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
CID 90204404
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
(4-methoxycarbonylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate
CID 7404206
[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253066
3-[cyclopentyl(methyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzaldehyde
CID 126761519
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
(4-propan-2-ylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815028
(4-methylphenyl)methyl 4-morpholin-4-ylpyridin-1-ium-2-carboxylate
CID 8000032
benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424

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).