4-(3-amino-4-methylphenyl)morpholine-3-carboxamide

C12H17N3O2 — CID 83101423

IUPAC4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
SMILESCc1ccc(N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C12H17N3O2/c1-8-2-3-9(6-10(8)13)15-4-5-17-7-11(15)12(14)16/h2-3,6,11H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyGVTXOSMEPFVUQK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.27
Rot. Bonds2

About 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide

4-(3-amino-4-methylphenyl)morpholine-3-carboxamide (PubChem CID 83101423) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
PubChem CID83101423
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
SMILESCc1ccc(N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C12H17N3O2/c1-8-2-3-9(6-10(8)13)15-4-5-17-7-11(15)12(14)16/h2-3,6,11H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyGVTXOSMEPFVUQK-UHFFFAOYSA-N
XLogP0.27
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.27
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-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83096321
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096329
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
CID 83101424

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide (CID 83101423) is 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide is Cc1ccc(N2CCOCC2C(N)=O)cc1N.
What is the InChIKey of 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide?
The InChIKey is GVTXOSMEPFVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-2-3-9(6-10(8)13)15-4-5-17-7-11(15)12(14)16/h2-3,6,11H,4-5,7,13H2,1H3,(H2,14,16).
What are the key properties of 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide?
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).