4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide

C14H21N3O2 — CID 83106155

IUPAC4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)13-10-19-9-8-17(13)7-6-11-2-4-12(15)5-3-11/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyCBGRVQUEJRGZBL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.26
Rot. Bonds4

About 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide

4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106155) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106155
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)13-10-19-9-8-17(13)7-6-11-2-4-12(15)5-3-11/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyCBGRVQUEJRGZBL-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170
(3S)-4-[2-(4-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 97157333
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83103647
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[3-(4-fluorophenyl)-2-oxopropyl]-N-methylmorpholine-3-carboxamide
CID 83101284

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide (CID 83106155) is 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is CBGRVQUEJRGZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(18)13-10-19-9-8-17(13)7-6-11-2-4-12(15)5-3-11/h2-5,13H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).