4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide

C13H17N3O3 — CID 83094374

IUPAC4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)Cc1ccccc1N
InChIInChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)7-12(17)16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8,14H2,(H2,15,18)
InChIKeyQUBAHMRPYLWSQG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.48
Rot. Bonds3

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

4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide (PubChem CID 83094374) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
PubChem CID83094374
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)Cc1ccccc1N
InChIInChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)7-12(17)16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8,14H2,(H2,15,18)
InChIKeyQUBAHMRPYLWSQG-UHFFFAOYSA-N
XLogP-0.48
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.48
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

methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
CID 113346648
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
CID 136520750

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide (CID 83094374) is 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)Cc1ccccc1N.
What is the InChIKey of 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide?
The InChIKey is QUBAHMRPYLWSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)7-12(17)16-5-6-19-8-11(16)13(15)18/h1-4,11H,5-8,14H2,(H2,15,18).
What are the key properties of 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide?
4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide is sourced from PubChem (CID 83094374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).