4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide

C14H19N3O3 — CID 106312666

IUPAC4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
SMILESCc1ccc(C(N)C(=O)N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C14H19N3O3/c1-9-2-4-10(5-3-9)12(15)14(19)17-6-7-20-8-11(17)13(16)18/h2-5,11-12H,6-8,15H2,1H3,(H2,16,18)
InChIKeyBCLKVRDKIJGBTP-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.29
Rot. Bonds3

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

4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide (PubChem CID 106312666) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
PubChem CID106312666
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
SMILESCc1ccc(C(N)C(=O)N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C14H19N3O3/c1-9-2-4-10(5-3-9)12(15)14(19)17-6-7-20-8-11(17)13(16)18/h2-5,11-12H,6-8,15H2,1H3,(H2,16,18)
InChIKeyBCLKVRDKIJGBTP-UHFFFAOYSA-N
XLogP-0.29
TPSA98.65 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
4-N-[4-(1-hydroxyethyl)phenyl]morpholine-3,4-dicarboxamide
CID 83098981
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-amino-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667541
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 106312554
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide (CID 106312666) is 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide is Cc1ccc(C(N)C(=O)N2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide?
The InChIKey is BCLKVRDKIJGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-2-4-10(5-3-9)12(15)14(19)17-6-7-20-8-11(17)13(16)18/h2-5,11-12H,6-8,15H2,1H3,(H2,16,18).
What are the key properties of 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide?
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide is sourced from PubChem (CID 106312666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).