N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide

C16H23N3O2 — CID 83104122

IUPACN-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCNCc1ccc(N2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-17-10-12-2-6-14(7-3-12)19-8-9-21-11-15(19)16(20)18-13-4-5-13/h2-3,6-7,13,15,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyXKNSLQJGSWSHFT-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds5

About N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide

N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83104122) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83104122
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCNCc1ccc(N2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-17-10-12-2-6-14(7-3-12)19-8-9-21-11-15(19)16(20)18-13-4-5-13/h2-3,6-7,13,15,17H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyXKNSLQJGSWSHFT-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102210
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096329
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83104122) is N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide is CNCc1ccc(N2CCOCC2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is XKNSLQJGSWSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-10-12-2-6-14(7-3-12)19-8-9-21-11-15(19)16(20)18-13-4-5-13/h2-3,6-7,13,15,17H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide?
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).