N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide

C13H19N3O2 — CID 669699

IUPACN-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-5-3-11(4-6-12)14-13(17)16-7-9-18-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyKRLLADIRUVUPTA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds2

About N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide

N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide (PubChem CID 669699) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
PubChem CID669699
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[4-(dimethylamino)phenyl]morpholine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-5-3-11(4-6-12)14-13(17)16-7-9-18-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyKRLLADIRUVUPTA-UHFFFAOYSA-N
XLogP1.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-Aminophenyl)morpholin-3-one
CID 11194854
1-Ethyl-1,3-diphenylurea
CID 98685
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-Morpholinecarboxamide, N-(4-fluorophenyl)-
CID 100827
Benzenamine, 4-(4-morpholinyl)-
CID 75655
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
4-Morpholineacetamide, N-phenyl-
CID 201328
N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N,N-Diethyl-N'-phenylurea
CID 13906
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide (CID 669699) is N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide is CN(C)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide?
The InChIKey is KRLLADIRUVUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)12-5-3-11(4-6-12)14-13(17)16-7-9-18-10-8-16/h3-6H,7-10H2,1-2H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide?
N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 669699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).