4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

C14H20ClN3O2 — CID 83106435

IUPAC4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyXQKRGZBSQWABFJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.26
Rot. Bonds4

About 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83106435) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83106435
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyXQKRGZBSQWABFJ-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83097776
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
N-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83103290
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (CID 83106435) is 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1ccc(N)cc1Cl.
What is the InChIKey of 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is XQKRGZBSQWABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(16)7-12(10)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19).
What are the key properties of 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).