4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide

C14H18N4O2 — CID 104717013

IUPAC4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C14H18N4O2/c1-2-17-14(19)12-9-20-7-6-18(12)11-5-3-4-10(8-15)13(11)16/h3-5,12H,2,6-7,9,16H2,1H3,(H,17,19)
InChIKeyCBETWAADVVORQE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.48
Rot. Bonds3

About 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide

4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 104717013) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID104717013
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C14H18N4O2/c1-2-17-14(19)12-9-20-7-6-18(12)11-5-3-4-10(8-15)13(11)16/h3-5,12H,2,6-7,9,16H2,1H3,(H,17,19)
InChIKeyCBETWAADVVORQE-UHFFFAOYSA-N
XLogP0.48
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104717017
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide (CID 104717013) is 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cccc(C#N)c1N.
What is the InChIKey of 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is CBETWAADVVORQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-17-14(19)12-9-20-7-6-18(12)11-5-3-4-10(8-15)13(11)16/h3-5,12H,2,6-7,9,16H2,1H3,(H,17,19).
What are the key properties of 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 104717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).