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

C14H19N3O3 — CID 83107170

IUPAC4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H19N3O3/c1-16-14(19)12-9-20-7-6-17(12)13(18)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9,15H2,1H3,(H,16,19)
InChIKeyLOEQOEOVVUKTSE-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.22
Rot. Bonds3

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

4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83107170) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
PubChem CID83107170
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H19N3O3/c1-16-14(19)12-9-20-7-6-17(12)13(18)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9,15H2,1H3,(H,16,19)
InChIKeyLOEQOEOVVUKTSE-UHFFFAOYSA-N
XLogP-0.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.22
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-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
N-methyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83100626
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide (CID 83107170) is 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is LOEQOEOVVUKTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-14(19)12-9-20-7-6-17(12)13(18)8-10-2-4-11(15)5-3-10/h2-5,12H,6-9,15H2,1H3,(H,16,19).
What are the key properties of 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide?
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83107170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).