N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

C16H22N2O3 — CID 83101406

IUPACN-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1ccc(N2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-2-6-14(7-3-12)18-8-9-21-10-15(18)16(20)17-13-4-5-13/h2-3,6-7,11,13,15,19H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyCZZWIBWSKDIACZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.22
Rot. Bonds4

About N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide

N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83101406) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
PubChem CID83101406
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
SMILESCC(O)c1ccc(N2CCOCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(19)12-2-6-14(7-3-12)18-8-9-21-10-15(18)16(20)17-13-4-5-13/h2-3,6-7,11,13,15,19H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyCZZWIBWSKDIACZ-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.22
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)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
(1R)-1-[4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 78939798
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
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
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide (CID 83101406) is N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is CC(O)c1ccc(N2CCOCC2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is CZZWIBWSKDIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)12-2-6-14(7-3-12)18-8-9-21-10-15(18)16(20)17-13-4-5-13/h2-3,6-7,11,13,15,19H,4-5,8-10H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide?
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).